Compounds

ALA4799422

Name:
N-(2-methyl-5-((6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C31H29F3N8O2

M.W.:
602.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
112.16

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4799059

Name:
N-(3-((1-methyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C31H29F3N8O2

M.W.:
602.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4798568

Name:
2-Chloro-5-((1-methyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxyShow More⌵

Mol. Formula:
C31H28ClF3N8O2

M.W.:
637.07

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4795692

Name:
3-((1-ethyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-4-methylShow More⌵

Mol. Formula:
C33H33F3N8O2

M.W.:
630.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4795519

Name:
4-Methyl-3-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxyShow More⌵

Mol. Formula:
C26H19F3N6O2

M.W.:
504.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
94.82

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4791776

Name:
N-(2-chloro-5-((6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C30H26ClF3N8O2

M.W.:
623.04

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
112.16

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4789950

Name:
4-Methyl-3-((1-methyl-6-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-N-(Show More⌵

Mol. Formula:
C34H34F3N7O2

M.W.:
629.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.46

Polar Surface Area:
88.41

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4788269

Name:
3-((6-(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-4-metShow More⌵

Mol. Formula:
C33H31ClF3N7O2

M.W.:
650.11

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.80

Polar Surface Area:
88.41

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4788213

Name:
3-((1-isopropyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-4-meShow More⌵

Mol. Formula:
C34H35F3N8O2

M.W.:
644.70

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.59

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4787557

Name:
2-Chloro-5-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxyShow More⌵

Mol. Formula:
C31H28ClF3N8O2

M.W.:
637.07

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4787017

Name:
3-((6-(4-hydroxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-4-meShow More⌵

Mol. Formula:
C33H32F3N7O3

M.W.:
631.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.86

Polar Surface Area:
108.64

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4783939

Name:
2-Methyl-5-((1-methyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxyShow More⌵

Mol. Formula:
C32H31F3N8O2

M.W.:
616.65

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4782764

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

Mol. Formula:
C31H29F3N8O2

M.W.:
602.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
112.16

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4782060

Name:
3-((6-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-4-metShow More⌵

Mol. Formula:
C33H31ClF3N7O2

M.W.:
650.11

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.80

Polar Surface Area:
88.41

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4779304

Name:
4-Methyl-3-((1-methyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxyShow More⌵

Mol. Formula:
C32H31F3N8O2

M.W.:
616.65

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4776341

Name:
4-Methyl-3-((1-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-N-(4-(Show More⌵

Mol. Formula:
C33H32F3N7O2

M.W.:
615.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.15

Polar Surface Area:
88.41

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4762907

Name:
4-Methyl-N-(3-(4-methyl-1H-imidazole-1-yl)-5-(trifluoromethyl)phenyl)-3-((1Show More⌵

Mol. Formula:
C30H23F3N8O2

M.W.:
584.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.29

Polar Surface Area:
112.64

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4762681

Name:
N-(2-methyl-5-((6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C31H29F3N8O2

M.W.:
602.62

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
112.16

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4761910

Name:
N-(2-chloro-5-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)Show More⌵

Mol. Formula:
C31H28ClF3N8O2

M.W.:
637.07

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4759561

Name:
N-(4-methyl-3-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)Show More⌵

Mol. Formula:
C32H31F3N8O2

M.W.:
616.65

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
101.30

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS