Compounds

ALA4790321

Name:
3-(4-amino-3-(1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyr
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Mol. Formula:
C18H20N6O

M.W.:
336.40

12 activity values

11 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
105.64

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4790094

Name:
1-tert-butyl-3-(5-fluoro-1H-indol-3-yl)-1H-pyrazol
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Mol. Formula:
C17H17FN6

M.W.:
324.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4789808

Name:
1-(cyclohexylmethyl)-3-(1H-indol-3-yl)-1H-pyrazolo
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Mol. Formula:
C20H22N6

M.W.:
346.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4789563

Name:
1-(4-((4-amino-3-(1H-indol-3-yl)-1H-pyrazolo[3,4-d
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Mol. Formula:
C21H23N7O

M.W.:
389.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
105.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4776166

Name:
3-(naphthalen-1-yl)-1-(piperidin-4-ylmethyl)-1H-py
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Mol. Formula:
C21H22N6

M.W.:
358.45

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
81.65

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4795484

Name:
3-(1H-indol-3-yl)-1-((tetrahydro-2H-pyran-4-yl)met
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Mol. Formula:
C19H20N6O

M.W.:
348.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
94.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4794923

Name:
3-(1H-indol-3-yl)-1-phenethyl-1H-pyrazolo[3,4-d]py
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Mol. Formula:
C21H18N6

M.W.:
354.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4800579

Name:
1-tert-butyl-3-(1-methyl-1H-indol-3-yl)-1H-pyrazol
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Mol. Formula:
C18H20N6

M.W.:
320.40

12 activity values

11 unique targets

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
74.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4799852

Name:
3-((1H-indol-3-yl)methyl)-1-tert-butyl-1H-pyrazolo
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Mol. Formula:
C18H20N6

M.W.:
320.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4798985

Name:
3-(1H-indol-3-yl)-1-(3-phenylprop-2-ynyl)-1H-pyraz
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Mol. Formula:
C22H16N6

M.W.:
364.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4798416

Name:
1-(cyclopentylmethyl)-3-(1H-indol-3-yl)-1H-pyrazol
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Mol. Formula:
C19H20N6

M.W.:
332.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4798297

Name:
1-benzyl-3-(1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrim
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Mol. Formula:
C20H16N6

M.W.:
340.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4785996

Name:
1-tert-butyl-3-(6-fluoro-1H-indol-3-yl)-1H-pyrazol
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Mol. Formula:
C17H17FN6

M.W.:
324.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4785578

Name:
3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]p
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Mol. Formula:
C20H21N5O

M.W.:
347.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4783728

Name:
3-(1H-indol-3-yl)-1-neopentyl-1H-pyrazolo[3,4-d]py
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Mol. Formula:
C18H20N6

M.W.:
320.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4780880

Name:
1-(3,3-dimethylbutyl)-3-(1H-indol-3-yl)-1H-pyrazol
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Mol. Formula:
C19H22N6

M.W.:
334.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4780246

Name:
1-tert-butyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[3,4-d]
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Mol. Formula:
C13H16N6

M.W.:
256.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4779893

Name:
3-(1H-indol-3-yl)-1-(naphthalen-1-ylmethyl)-1H-pyr
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Mol. Formula:
C24H18N6

M.W.:
390.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4779416

Name:
1-tert-butyl-3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d
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Mol. Formula:
C12H15N7

M.W.:
257.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
98.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4779371

Name:
1-tert-butyl-3-(quinolin-5-yl)-1H-pyrazolo[3,4-d]p
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Mol. Formula:
C18H18N6

M.W.:
318.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS