Compounds

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
61.80

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4878653

Name:
3,5-diphenyl-1H-pyrazolo[3,4-b]pyridine

Mol. Formula:
C18H13N3

M.W.:
271.32

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4878373

Name:
5-bromo-3-(pyrimidin-5-yl)-1H-pyrazolo[3,4-b]pyridine

Mol. Formula:
C10H6BrN5

M.W.:
276.10

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
67.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4875758

Name:
N-(3-(5-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)phenyl)acetamiShow More⌵

Mol. Formula:
C20H16N4O3

M.W.:
360.37

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
111.13

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4875657

Name:
N-(3,5-bis(trifluoromethyl)phenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyShow More⌵

Mol. Formula:
C21H14F6N4O

M.W.:
452.36

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
62.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4874497

Name:
N-(3-(benzyloxy)phenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amiShow More⌵

Mol. Formula:
C26H22N4O2

M.W.:
422.49

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
72.06

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4874485

Name:
N-(4-(3-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)methanesulfShow More⌵

Mol. Formula:
C19H16N4O3S

M.W.:
380.43

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
107.97

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4874455

Name:
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine

Mol. Formula:
C21H19N3O3

M.W.:
361.40

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
69.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4874247

Name:
N-(4-(3-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)acetamide

Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
90.90

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4873449

Name:
4-(3-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)benzene-1,2-diol

Mol. Formula:
C18H13N3O3

M.W.:
319.32

49 activity values

25 unique targets

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4872950

Name:
1-(4-(3-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)urea

Mol. Formula:
C19H15N5O2

M.W.:
345.36

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
116.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4872233

Name:
1-(4-(3-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)urea

Mol. Formula:
C20H17N5O2

M.W.:
359.39

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
105.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4872160

Name:
5-bromo-3-phenyl-1H-pyrazolo[3,4-b]pyridine

Mol. Formula:
C12H8BrN3

M.W.:
274.12

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4872136

Name:
N-(4-(3-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)acetamide

Mol. Formula:
C21H18N4O2

M.W.:
358.40

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
79.90

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4871570

Name:
N-(3-(5-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)phenyl)acetamiShow More⌵

Mol. Formula:
C22H20N4O3

M.W.:
388.43

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
89.13

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4871412

Name:
4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-3-yl)phenol

Mol. Formula:
C12H8BrN3O

M.W.:
290.12

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
61.80

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4869480

Name:
3-(5-bromo-1H-pyrazolo[3,4-b]pyridin-3-yl)aniline

Mol. Formula:
C12H9BrN4

M.W.:
289.14

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4868377

Name:
3-(1-benzyl-1H-pyrazol-4-yl)-5-bromo-1H-pyrazolo[3,4-b]pyridine

Mol. Formula:
C16H12BrN5

M.W.:
354.21

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4867616

Name:
5-(3,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)-1H-pyrazolo[3,4-b]pyridShow More⌵

Mol. Formula:
C19H17N5O3

M.W.:
363.38

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
95.04

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4867397

Name:
5-bromo-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine

Mol. Formula:
C12H7BrN4O2

M.W.:
319.12