Compounds

ALA5267582

Name:
((1S,6R,7S)-3-(3-(7-chloro-2-methylbenzo[d]thiazol-6-yl)-1H-pyrazolo[3,4-b]Show More⌵

Mol. Formula:
C24H23ClN8S2

M.W.:
523.09

Type:
---

AlogP:
4.71

Polar Surface Area:
109.50

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5267482

Name:
((1R,5S,6s)-6-phenyl-3-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazShow More⌵

Mol. Formula:
C23H20F3N7S

M.W.:
483.52

Type:
---

AlogP:
3.88

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5266654

Name:
(1R,6R,7R)-3-(3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-7-phenShow More⌵

Mol. Formula:
C23H20Cl2N6

M.W.:
451.36

Type:
---

AlogP:
4.64

Polar Surface Area:
83.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5266583

Name:
4-methyl-1-(6-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazo[4,5-b]pyraShow More⌵

Mol. Formula:
C17H18F3N7S

M.W.:
409.44

Type:
---

AlogP:
3.24

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282533

Name:
((1S,6R,7R)-7-phenyl-3-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazShow More⌵

Mol. Formula:
C24H22F3N7S

M.W.:
497.55

Type:
---

AlogP:
4.27

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282278

Name:
((1S,6R,7S)-3-(3-(4-chloropyrazolo[1,5-a]pyridin-5-yl)-1H-pyrazolo[3,4-b]pyShow More⌵

Mol. Formula:
C23H22ClN9S

M.W.:
492.01

Type:
---

AlogP:
3.44

Polar Surface Area:
113.91

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5281311

Name:
((1S,6R,7R)-3-(3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-7-(4-Show More⌵

Mol. Formula:
C22H21Cl2N7S

M.W.:
486.43

Type:
---

AlogP:
4.44

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5281150

Name:
(1R,5S,6r)-6-phenyl-3-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazoShow More⌵

Mol. Formula:
C22H18F3N7S

M.W.:
469.50

Type:
---

AlogP:
3.84

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5280924

Name:
1-(6-((2,3-dichlorophenyl)thio)-5-methyl-1H-imidazo[4,5-b]pyrazin-2-yl)-4-mShow More⌵

Mol. Formula:
C18H20Cl2N6S

M.W.:
423.37

Type:
---

AlogP:
4.44

Polar Surface Area:
83.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280755

Name:
[3-(4-amino-4-methyl-1-piperidyl)-6-(2,3-dichlorophenyl)-5-methyl-pyrazin-2Show More⌵

Mol. Formula:
C18H22Cl2N4O

M.W.:
381.31

Type:
---

AlogP:
3.57

Polar Surface Area:
75.27

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5279772

Name:
N-(2-nitrophenyl)-3-(4-oxo-6,7,8,9-tetrahydro-4H-cyclohepta[4,5]thieno[2,3-Show More⌵

Mol. Formula:
C20H20N4O4S

M.W.:
412.47

Type:
---

AlogP:
3.66

Polar Surface Area:
107.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5279504

Name:
4-methyl-1-(6-((2-(trifluoromethyl)pyridin-3-yl)thio)thiazolo[4,5-b]pyrazinShow More⌵

Mol. Formula:
C17H17F3N6S2

M.W.:
426.49

Type:
---

AlogP:
3.97

Polar Surface Area:
80.82

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5278669

Name:
((1R,5S,6r)-3-(3-(4-chloro-2-methyl-2H-indazol-5-yl)-1H-pyrazolo[3,4-b]pyraShow More⌵

Mol. Formula:
C23H23ClN10

M.W.:
474.96

Type:
---

AlogP:
2.26

Polar Surface Area:
119.36

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278658

Name:
((1S,6R,7S)-3-(3-(4-chloro-2-methyl-2H-indazol-5-yl)-1H-pyrazolo[3,4-b]pyraShow More⌵

Mol. Formula:
C24H24ClN9S

M.W.:
506.04

Type:
---

AlogP:
3.68

Polar Surface Area:
114.43

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5278251

Name:
((1S,6R,7R)-7-(thiophen-3-yl)-3-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-Show More⌵

Mol. Formula:
C22H20F3N7S2

M.W.:
503.58

Type:
---

AlogP:
4.33

Polar Surface Area:
96.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5278011

Name:
(S)-1'-(5-((3-chloro-2-(methylamino)pyridin-4-yl)thio)-1H-imidazo[4,5-b]pyrShow More⌵

Mol. Formula:
C24H25ClN8S

M.W.:
493.04

Type:
---

AlogP:
4.44

Polar Surface Area:
108.64

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5277819

Name:
((1S,6R,7R)-7-(thiophen-3-yl)-3-(3-(2-(trifluoromethyl)pyridin-3-yl)-1H-pyrShow More⌵

Mol. Formula:
C22H20F3N7S

M.W.:
471.51

Type:
---

AlogP:
3.85

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5277049

Name:
N-methyl-1-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazo[4,5-b]pyraShow More⌵

Mol. Formula:
C17H18F3N7S

M.W.:
409.44

Type:
---

AlogP:
3.11

Polar Surface Area:
82.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5276842

Name:
(S)-1'-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazo[4,5-b]pyrazin-Show More⌵

Mol. Formula:
C24H22F3N7S

M.W.:
497.55

Type:
---

AlogP:
4.76

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5276767

Name:
4-[(2Z)-2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-pyrazolidin-4-ylidene]hydrazinoShow More⌵

Mol. Formula:
C21H17N5O6S

M.W.:
467.46

Type:
---

AlogP:
2.90

Polar Surface Area:
154.24

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS