Compounds

Type:
---

AlogP:
3.08

Polar Surface Area:
106.85

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5196751

Name:
(1R,3R)-3-[[3-bromo-1-[3-cyano-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrShow More⌵

Mol. Formula:
C23H22BrN9OS

M.W.:
552.46

6 activity values

2 unique targets

Type:
---

AlogP:
3.99

Polar Surface Area:
134.30

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5196192

Name:
(1S,3S)-3-((3-bromo-1-(6-quinolyl)pyrazolo[3,4-d]pyrimidin-6-yl)amino)-N-(2Show More⌵

Mol. Formula:
C23H24BrN7O2

M.W.:
510.40

Type:
---

AlogP:
3.47

Polar Surface Area:
106.85

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5205311

Name:
N-(1-(4-piperidyl)pyrazol-4-yl)-1-(6-quinolyl)-3-(trifluoromethyl)pyrazolo[Show More⌵

Mol. Formula:
C23H20F3N9

M.W.:
479.47

Type:
---

AlogP:
4.25

Polar Surface Area:
98.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5204967

Name:
N-(1-ethylpyrazol-4-yl)-8-(4-methoxyphenyl)quinazolin-2-amine

Mol. Formula:
C20H19N5O

M.W.:
345.41

Type:
---

AlogP:
4.27

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5204720

Name:
3-((3-bromo-1-(6-quinolyl)pyrazolo[3,4-d]pyrimidin-6-yl)amino)-N-(2-methoxyShow More⌵

Mol. Formula:
C20H20BrN7O2

M.W.:
470.33

Type:
---

AlogP:
2.69

Polar Surface Area:
106.85

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5202445

Name:
3-methyl-N-(1-(4-piperidyl)pyrazol-4-yl)-1-(6-quinolyl)pyrazolo[3,4-d]pyrimShow More⌵

Mol. Formula:
C23H23N9

M.W.:
425.50

Type:
---

AlogP:
3.54

Polar Surface Area:
98.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5202342

Name:
3-bromo-N-(1-(4-piperidyl)pyrazol-4-yl)-1-(6-quinolyl)pyrazolo[3,4-d]pyrimiShow More⌵

Mol. Formula:
C22H20BrN9

M.W.:
490.37

Type:
---

AlogP:
3.99

Polar Surface Area:
98.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5201930

Name:
(1R,3R)-3-[[1-[3-(2-aminoethyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-3Show More⌵

Mol. Formula:
C24H28BrN9OS

M.W.:
570.52

Type:
---

AlogP:
3.62

Polar Surface Area:
136.53

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5201758

Name:
(1R,3R)-3-((3-bromo-1-(4-(2-methylthiazol-5-yl)phenyl)pyrazolo[3,4-d]pyrimiShow More⌵

Mol. Formula:
C23H24BrN7OS

M.W.:
526.46

Type:
---

AlogP:
4.73

Polar Surface Area:
97.62

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5200952

Name:
N-((1R,3R)-3-((3-bromo-1-(6-quinolyl)pyrazolo[3,4-d]pyrimidin-6-yl)amino)cyShow More⌵

Mol. Formula:
C23H24BrN7O2

M.W.:
510.40

Type:
---

AlogP:
3.61

Polar Surface Area:
106.85

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5200118

Name:
(1R,3R)-3-[[3-bromo-1-[3-(2-methylsulfonylethyl)-4-(5-methyl-1,3,4-thiadiazShow More⌵

Mol. Formula:
C25H29BrN8O3S2

M.W.:
633.60

6 activity values

2 unique targets

Type:
---

AlogP:
3.71

Polar Surface Area:
144.65

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5199369

Name:
(1R,3R)-3-((3-bromo-1-(quinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)aminShow More⌵

Mol. Formula:
C22H22BrN7O

M.W.:
480.37

Type:
---

AlogP:
3.84

Polar Surface Area:
97.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5199283

Name:
N-(1-ethylpyrazol-4-yl)-3-methyl-1-(6-quinolyl)pyrazolo[3,4-d]pyrimidin-6-aShow More⌵

Mol. Formula:
C20H18N8

M.W.:
370.42

Type:
---

AlogP:
3.63

Polar Surface Area:
86.34

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5199088

Name:
3-Bromo-N-[(1R,3R)-3-(1H-imidazol-2-yl)cyclopentyl]-1-(6-quinolyl)pyrazolo[Show More⌵

Mol. Formula:
C20H20BrN7O2S

M.W.:
502.40

Type:
---

AlogP:
3.01

Polar Surface Area:
114.69

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5209076

Name:
3-chloro-N-(1-(4-piperidyl)pyrazol-4-yl)-1-(6-quinolyl)pyrazolo[3,4-d]pyrimShow More⌵

Mol. Formula:
C22H20ClN9

M.W.:
445.92

Type:
---

AlogP:
3.88

Polar Surface Area:
98.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5208898

Name:
2-((3-bromo-1-(6-quinolyl)pyrazolo[3,4-d]pyrimidin-6-yl)amino)-N-(2-methoxyShow More⌵

Mol. Formula:
C19H18BrN7O2

M.W.:
456.30

Type:
---

AlogP:
2.30

Polar Surface Area:
106.85

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5208897

Name:
N-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

Mol. Formula:
C17H17N7O

M.W.:
335.37

Type:
---

AlogP:
2.78

Polar Surface Area:
82.68

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5208600

Name:
(1R,3R)-3-((3-bromo-1-(3-fluoro-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)pyShow More⌵

Mol. Formula:
C22H22BrFN8OS

M.W.:
545.44

Type:
---

AlogP:
4.26

Polar Surface Area:
110.51

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5207062

Name:
(1R,3R)-3-((3-bromo-1-(3-(methylsulfonylmethyl)-4-(5-methyl-1,3,4-thiadiazoShow More⌵

Mol. Formula:
C24H27BrN8O3S2

M.W.:
619.57