Compounds

ALA5272218

Name:
N-(3-fluoro-4-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C13H12FN5

M.W.:
257.27

Type:
---

AlogP:
2.55

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5271836

Name:
1-(2,4-dimethylphenyl)-N-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C16H19N5

M.W.:
281.36

Type:
---

AlogP:
3.25

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5271804

Name:
(R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-((3,5-dichloro-4-hydroxyphenyl)amShow More⌵

Mol. Formula:
C24H29Cl2N5O2

M.W.:
490.44

Type:
---

AlogP:
5.91

Polar Surface Area:
81.59

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5271652

Name:
N-(3-Cyano-2-(2'-ethoxybiphenyl-4-yl)-1,7-naphthyridin-4-yl)-alanine

Mol. Formula:
C26H22N4O3

M.W.:
438.49

Type:
---

AlogP:
5.12

Polar Surface Area:
108.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271088

Name:
7-((1H-imidazol-4-yl)methyl)-N-(3-chloro-4-methoxyphenyl)-7H-pyrrolo[2,3-d]Show More⌵

Mol. Formula:
C17H15ClN6O

M.W.:
354.80

Type:
---

AlogP:
3.61

Polar Surface Area:
80.65

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5270839

Name:
N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]Show More⌵

Mol. Formula:
C19H15Cl2N5O

M.W.:
400.27

Type:
---

AlogP:
5.18

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5270765

Name:
(2R)-2-((5-Chloro-3-cyano-2-(2'-ethoxybiphenyl-4-yl)-1,7-naphthyridin-4-yl)Show More⌵

Mol. Formula:
C27H24ClN5O2

M.W.:
485.98

Type:
---

AlogP:
5.56

Polar Surface Area:
113.92

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5270656

Name:
(2R)-2-((3-Cyano-2-(2'-(methylamino)biphenyl-4-yl)-1,7-naphthyridin-4-yl)amShow More⌵

Mol. Formula:
C26H24N6O

M.W.:
436.52

Type:
---

AlogP:
4.55

Polar Surface Area:
116.72

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5270533

Name:
(2R)-2-((3-Cyano-2-(2'-(methoxymethyl)biphenyl-4-yl)-1,7-naphthyridin-4-yl)Show More⌵

Mol. Formula:
C27H25N5O2

M.W.:
451.53

Type:
---

AlogP:
4.66

Polar Surface Area:
113.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270414

Name:
2-(2'-Ethoxybiphenyl-4-yl)-4-(((3R)-2-oxopyrrolidin-3-yl)amino)-1,7-naphthyShow More⌵

Mol. Formula:
C27H22N4O3

M.W.:
450.50

Type:
---

AlogP:
4.96

Polar Surface Area:
97.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5270026

Name:
(2R)-2-((3-Cyano-2-(2'-ethoxybiphenyl-4-yl)-1,7-naphthyridin-4-yl)amino)-N,Show More⌵

Mol. Formula:
C29H29N5O2

M.W.:
479.58

Type:
---

AlogP:
5.51

Polar Surface Area:
91.14

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5269721

Name:
N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimShow More⌵

Mol. Formula:
C20H18ClN5O

M.W.:
379.85

Type:
---

AlogP:
4.84

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5269451

Name:
N-(3-chloro-4-methoxy-phenyl)-1-cyclopropyl-pyrazolo[3,4-d]pyrimidin-4-aminShow More⌵

Mol. Formula:
C15H14ClN5O

M.W.:
315.76

Type:
---

AlogP:
3.57

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5268620

Name:
N-(3-chloro-4-methoxyphenyl)-7-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]Show More⌵

Mol. Formula:
C17H15ClN6O

M.W.:
354.80

Type:
---

AlogP:
3.56

Polar Surface Area:
69.79

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5268286

Name:
N-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidinShow More⌵

Mol. Formula:
C18H13Cl2N5O

M.W.:
386.24

Type:
---

AlogP:
4.87

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5267768

Name:
N2-(3-Cyano-2-(2'-ethoxybiphenyl-4-yl)-1,7-naphthyridin-4-yl)-O-methylserinShow More⌵

Mol. Formula:
C27H25N5O3

M.W.:
467.53

Type:
---

AlogP:
4.15

Polar Surface Area:
123.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5282625

Name:
(2R)-2-((3-Cyano-2-(2'-(propan-2-yl)biphenyl-4-yl)-1,7-naphthyridin-4-yl)amShow More⌵

Mol. Formula:
C28H27N5O

M.W.:
449.56

Type:
---

AlogP:
5.63

Polar Surface Area:
104.69

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5282610

Name:
N2-(2-(4-Bromophenyl)-3-cyano-1,7-naphthyridin-4-yl)-2-methylalaninamid

Mol. Formula:
C20H17BrN4O

M.W.:
409.29

Type:
---

AlogP:
4.08

Polar Surface Area:
92.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5282526

Name:
(2R)-2-((3-Cyano-2-(3'-methoxybiphenyl-4-yl)-1,7-naphthyridin-4-yl)amino)buShow More⌵

Mol. Formula:
C26H23N5O2

M.W.:
437.50

Type:
---

AlogP:
4.52

Polar Surface Area:
113.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5282498

Name:
(S)-8-(4-(methylthio)phenyl)-6-oxo-3-(o-tolyl)-2,3,4,6,7,8-hexahydropyrido[Show More⌵

Mol. Formula:
C22H21N3OS2

M.W.:
407.56

Type:
---

AlogP:
4.94

Polar Surface Area:
47.34

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS