Compounds

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
114.79

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4293688

Name:
N-(3-Fluoro-4-((6-methyl-3H-imidazo[4,5-b]pyridin-7-yl)oxy)phenyl)-1-(4-fluShow More⌵

Mol. Formula:
C25H17F2N5O3

M.W.:
473.44

42 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
101.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4291263

Name:
N-(4-((6-(4-(Dimethylamino)phenyl)-2-ethyl-3H-imidazo[4,5-b]pyridin-7-yl)oxShow More⌵

Mol. Formula:
C34H28F2N6O3

M.W.:
606.63

Type:
Small molecule

AlogP:
6.73

Polar Surface Area:
105.14

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4290862

Name:
N-(3-Fluoro-4-((2-isopropyl-6-(pyridin-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl)Show More⌵

Mol. Formula:
C32H24F2N6O3

M.W.:
578.58

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
114.79

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4287444

Name:
N-(4-((6-(Furan-3-yl)-2-isopropyl-3H-imidazo[4,5-b]pyridin-7-yl)oxy)-3-fluoShow More⌵

Mol. Formula:
C31H23F2N5O4

M.W.:
567.55

Type:
Small molecule

AlogP:
6.82

Polar Surface Area:
115.04

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4285809

Name:
N-(4-((6-Bromo-3H-imidazo[4,5-b]pyridin-7-yl)oxy)-3-fluorophenyl)-1-(4-fluoShow More⌵

Mol. Formula:
C24H14BrF2N5O3

M.W.:
538.31

40 activity values

12 unique targets

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
101.90

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4285573

Name:
N-(4-((6-(4-Hydroxyphenyl)-2-isopropyl-3H-imidazo[4,5-b]pyridin-7-yl)oxy)-3Show More⌵

Mol. Formula:
C33H25F2N5O4

M.W.:
593.59

Type:
Small molecule

AlogP:
6.93

Polar Surface Area:
122.13

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4284078

Name:
N-(4-((2-Ethyl-6-(pyridin-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl)oxy)-3-fluoroShow More⌵

Mol. Formula:
C31H22F2N6O3

M.W.:
564.55

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
114.79

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4282995

Name:
N-(3-Fluoro-4-((2-isopropyl-6-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)Show More⌵

Mol. Formula:
C32H24F2N6O3

M.W.:
578.58

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
114.79

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4280621

Name:
N-(4-((2-Ethyl-6-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl)oxy)-3-fluorophShow More⌵

Mol. Formula:
C30H21F2N5O4

M.W.:
553.53

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
115.04

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4279970

Name:
N-(3-fluoro-4-((6-phenyl-3H-imidazo[4,5-b]pyridin-7-yl)oxy)phenyl)-1-(4-fluShow More⌵

Mol. Formula:
C30H19F2N5O3

M.W.:
535.51

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
101.90

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4279522

Name:
N-(4-((6-(4-(Dimethylamino)phenyl)-2-isopropyl-3H-imidazo[4,5-b]pyridin-7-yShow More⌵

Mol. Formula:
C35H30F2N6O3

M.W.:
620.66

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
105.14

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4277630

Name:
N-(4-((2-Ethyl-6-(4-hydroxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl)oxy)-3-fluShow More⌵

Mol. Formula:
C32H23F2N5O4

M.W.:
579.56

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
122.13

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4277499

Name:
N-(4-((3H-Imidazo[4,5-b]pyridin-7-yl)oxy)-3-fluorophenyl)-1-(4-fluorophenylShow More⌵

Mol. Formula:
C24H15F2N5O3

M.W.:
459.41

44 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
101.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4218369

Name:
1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(4-methylpiperazinShow More⌵

Mol. Formula:
C26H29N11

M.W.:
495.60

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
105.71

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4217649

Name:
1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3-[6-(4-ethylpiperazin-1-yl)pyriShow More⌵

Mol. Formula:
C27H31N11

M.W.:
509.62

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
105.71

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4214476

Name:
1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1Show More⌵

Mol. Formula:
C19H24N8O2

M.W.:
396.46

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
102.25

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4213003

Name:
1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazoShow More⌵

Mol. Formula:
C21H28N8

M.W.:
392.51

15 activity values

14 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
83.79

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4211308

Name:
1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[4-(piperazin-1-yl)phShow More⌵

Mol. Formula:
C26H28N10

M.W.:
480.58

14 activity values

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
101.61

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4210084

Name:
1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyShow More⌵

Mol. Formula:
C25H27N11

M.W.:
481.57