Compounds

ALA5179545

Name:
1-[5-(2-chlorophenyl)-1H-indazol-3-yl]propan-1-one

Mol. Formula:
C16H13ClN2O

M.W.:
284.75

1 activity values

1 unique targets

Type:
---

AlogP:
4.48

Polar Surface Area:
45.75

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4800174

Name:
N-(1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl)-2-methylbenzamide

Mol. Formula:
C18H20N6O

M.W.:
336.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4800106

Name:
4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3,4-dichlorophenyl)piperidinShow More⌵

Mol. Formula:
C17H17Cl2N7O

M.W.:
406.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
98.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4799919

Name:
(4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)piperidin-1-yl)(4-bromophenyl)mShow More⌵

Mol. Formula:
C17H17BrN6O

M.W.:
401.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4799887

Name:
N-(3-(4-hydroxybenzylidene)-2-oxoindolin-5-yl)-3-morpholinopropanamide

Mol. Formula:
C22H23N3O4

M.W.:
393.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4799349

Name:
6-(2-Chloro-4-(6-methylpyridin-2-yl)phenyl)-N-methyl-1H-indazole-3-carboxamShow More⌵

Mol. Formula:
C21H17ClN4O

M.W.:
376.85

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4798937

Name:
4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3,5-bis(trifluoromethyl)phenShow More⌵

Mol. Formula:
C19H17F6N7S

M.W.:
489.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
81.76

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4798737

Name:
4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-chlorophenyl)piperidine-1-Show More⌵

Mol. Formula:
C17H18ClN7O

M.W.:
371.83

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
98.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4798596

Name:
1-(1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl)-3-(2-chlorophenyl)urShow More⌵

Mol. Formula:
C17H18ClN7O

M.W.:
371.83

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
98.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4796946

Name:
4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(2,6-dimethylphenyl)piperidinShow More⌵

Mol. Formula:
C19H23N7O

M.W.:
365.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
98.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4795020

Name:
4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(naphthalen-1-yl)piperidine-1Show More⌵

Mol. Formula:
C21H21N7O

M.W.:
387.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
98.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4794451

Name:
6-(2-chloro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-N-(tetrahydro-2H-pyraShow More⌵

Mol. Formula:
C25H23ClN4O3

M.W.:
462.94

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
89.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4794004

Name:
6-(2-Chloro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-N-(pyridin-4-yl)-1H-iShow More⌵

Mol. Formula:
C25H18ClN5O2

M.W.:
455.91

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4793834

Name:
(4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)piperidin-1-yl)(4-fluorophenyl)Show More⌵

Mol. Formula:
C17H17FN6O

M.W.:
340.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4793598

Name:
(4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)piperidin-1-yl)(2-chlorophenyl)Show More⌵

Mol. Formula:
C17H17ClN6O

M.W.:
356.82

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4793597

Name:
N-(1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl)-4-fluorobenzamide

Mol. Formula:
C17H17FN6O

M.W.:
340.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4793325

Name:
N-(3-((1H-indazol-5-yl)methylene)-2-oxoindolin-5-yl)morpholine-4-carboxamidShow More⌵

Mol. Formula:
C21H19N5O3

M.W.:
389.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
99.35

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4793210

Name:
(4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)piperidin-1-yl)(2,3-dichloropheShow More⌵

Mol. Formula:
C17H16Cl2N6O

M.W.:
391.26

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4792139

Name:
4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(4-bromophenyl)piperidine-1-cShow More⌵

Mol. Formula:
C17H18BrN7O

M.W.:
416.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
98.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4791897

Name:
N-(3-((1H-indazol-5-yl)methylene)-2-oxoindolin-5-yl)-3-(piperidin-1-yl)propShow More⌵

Mol. Formula:
C24H25N5O2

M.W.:
415.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
90.12

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS