Compounds

Type:
---

AlogP:
3.40

Polar Surface Area:
214.19

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5094596

Name:
2-(2-(3-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyridaShow More⌵

Mol. Formula:
C30H22F3N7O4

M.W.:
601.55

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
160.93

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5088050

Name:
2-(4-amino-2-(4-fluorophenyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyridazinShow More⌵

Mol. Formula:
C28H18F4N6O3

M.W.:
562.48

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
131.83

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5084624

Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyridaShow More⌵

Mol. Formula:
C30H22F3N7O4

M.W.:
601.55

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
160.93

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5083118

Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyridaShow More⌵

Mol. Formula:
C27H27N7O4

M.W.:
513.56

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
160.93

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5082740

Name:
2-(4-amino-7-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyridazin-3-yl)-3-mShow More⌵

Mol. Formula:
C28H19F3N6O3

M.W.:
544.49

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
131.83

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5081927

Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyridaShow More⌵

Mol. Formula:
C29H29N7O4

M.W.:
539.60

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
160.93

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5076889

Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridaShow More⌵

Mol. Formula:
C30H22F3N7O4

M.W.:
601.55

22 activity values

5 unique targets

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
160.93

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5075627

Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyridaShow More⌵

Mol. Formula:
C29H23N7O4

M.W.:
533.55

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
160.93

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5072982

Name:
4-((4-ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2-oxoindolin-6-yloxy)phenyShow More⌵

Mol. Formula:
C30H31F3N4O3

M.W.:
552.60

2 activity values

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5072528

Name:
2-(4-amino-7-oxo-2-p-tolyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyridazin-3-yl)-3-Show More⌵

Mol. Formula:
C29H21F3N6O3

M.W.:
558.52

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
131.83

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4797161

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

Mol. Formula:
C30H29N7O3

M.W.:
535.61

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
131.28

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4794765

Name:
4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3Show More⌵

Mol. Formula:
C29H27F3N6O

M.W.:
532.57

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
65.77

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4794626

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

Mol. Formula:
C30H28BrN7O3

M.W.:
614.50

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
131.28

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4794437

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

Mol. Formula:
C31H29F3N8O2

M.W.:
602.62

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
125.29

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4789444

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

Mol. Formula:
C31H31BrN8O2

M.W.:
627.55

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
125.29

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4787932

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

Mol. Formula:
C33H33F3N8O2

M.W.:
630.67

Type:
Unknown

AlogP:
6.11

Polar Surface Area:
125.29

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4787667

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

Mol. Formula:
C31H31IN8O2

M.W.:
674.55

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
125.29

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4787522

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

Mol. Formula:
C32H30F3N7O2

M.W.:
601.63

Type:
Unknown

AlogP:
6.96

Polar Surface Area:
122.05

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4783456

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

Mol. Formula:
C31H31N7O2

M.W.:
533.64