Compounds

ALA4517951

Name:
2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)be
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Cas Number:
1569260-18-9

Mol. Formula:
C14H11BrN4O2

M.W.:
347.17

6 activity values

3 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5282564

Name:
rac-trans-2-(2-(1-(2-Aminopyrimidin-4-yl)-1H-pyrro
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Mol. Formula:
C17H19N5O

M.W.:
309.37

Type:
---

AlogP:
2.27

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5282072

Name:
4-(1-(2-Aminopyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyri
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Mol. Formula:
C16H15N5O

M.W.:
293.33

Type:
---

AlogP:
1.52

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5281273

Name:
2-(3-(1-(2-Aminopyrimidin-4-yl)-1H-pyrrolo[3,2-c]p
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Mol. Formula:
C19H21N5O

M.W.:
335.41

Type:
---

AlogP:
2.59

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5280803

Name:
4-(1-(2-Aminopyrimidin-4-yl)-5-methoxy-1H-indol-6-
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Mol. Formula:
C18H18N4O2

M.W.:
322.37

Type:
---

AlogP:
2.13

Polar Surface Area:
86.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5280210

Name:
(S)-1-(1-(2-Amino-6-methoxypyrimidin-4-yl)-1H-pyrr
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Mol. Formula:
C18H19N5O2

M.W.:
337.38

Type:
---

AlogP:
1.92

Polar Surface Area:
99.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5279863

Name:
4-(1-(2-Aminopyrimidin-4-yl)-3-(tetrohydro-2H-pyra
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Mol. Formula:
C21H23N5O2

M.W.:
377.45

Type:
---

AlogP:
2.41

Polar Surface Area:
99.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5279159

Name:
4-(3-(2-aminopyrimidin-4-yl)-1H-indazol-5-yl)-2-me
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Mol. Formula:
C16H15N5O

M.W.:
293.33

Type:
---

AlogP:
1.72

Polar Surface Area:
100.71

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5278744

Name:
4-(1-(2-Aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyr
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Mol. Formula:
C15H14N6O

M.W.:
294.32

Type:
---

AlogP:
0.92

Polar Surface Area:
102.74

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5287032

Name:
4-(1-(2-Aminopyrimidin-4-yl)-1H-pyrozolo[4,3-c]pyr
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Mol. Formula:
C16H12N6O

M.W.:
304.31

Type:
---

AlogP:
2.17

Polar Surface Area:
102.74

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5286028

Name:
4-(1-(2-Aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyr
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Mol. Formula:
C15H18N6O

M.W.:
298.35

Type:
---

AlogP:
1.50

Polar Surface Area:
102.74

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5290581

Name:
4-(1-(2-Aminopyrimidin-4-yl)-4-morpholino-1H-pyrro
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Mol. Formula:
C20H22N6O2

M.W.:
378.44

Type:
---

AlogP:
1.36

Polar Surface Area:
102.32

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5290252

Name:
4-(3-(2-aminopyrimidin-4-yl)-1-methyl-1H-indazol-5
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Mol. Formula:
C17H17N5O

M.W.:
307.36

Type:
---

AlogP:
1.73

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5288487

Name:
4-(1-(2-Aminopyrimidin-4-yl)-4-methoxy-1H-pyrrolo[
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Mol. Formula:
C17H17N5O2

M.W.:
323.36

Type:
---

AlogP:
1.53

Polar Surface Area:
99.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5287975

Name:
1-(1-(2-Aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyr
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Mol. Formula:
C14H15N7O

M.W.:
297.32

Type:
---

AlogP:
0.36

Polar Surface Area:
105.98

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5283456

Name:
(S)-1-(1-(2-Aminopyrimidin-4-yl)-1H-pyrrolo[3,2-c]
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Mol. Formula:
C17H17N5O

M.W.:
307.36

Type:
---

AlogP:
1.91

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5283413

Name:
(E)-4-(1-(2-Aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c
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Mol. Formula:
C15H16N6O

M.W.:
296.33

Type:
---

AlogP:
1.58

Polar Surface Area:
102.74

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5282902

Name:
(S)-1-(1-(2-Amino-6-methylpyrimidin-4-yl)-1H-pyrro
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Mol. Formula:
C18H19N5O

M.W.:
321.38

Type:
---

AlogP:
2.22

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275588

Name:
4-(3-(2-aminopyrimidin-4-yl)-1-methyl-1H-pyrazolo[
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Mol. Formula:
C16H16N6O

M.W.:
308.35

Type:
---

AlogP:
1.13

Polar Surface Area:
102.74

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5274528

Name:
4-(1-(2-Aminopyrimidin-4-yl)-5-fluoro-1H-indol-6-y
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Mol. Formula:
C17H15FN4O

M.W.:
310.33

Type:
---

AlogP:
2.26

Polar Surface Area:
76.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS