Compounds

ALA5272403

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

Mol. Formula:
C22H19Cl2N9S

M.W.:
512.43

Type:
---

AlogP:
3.63

Polar Surface Area:
114.43

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271919

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

Mol. Formula:
C25H24ClN9

M.W.:
485.98

Type:
---

AlogP:
3.23

Polar Surface Area:
114.43

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5271735

Name:
3-[(E)-(2-nitrophenyl)azo]-2-oxo-indoline-6-sulfonicacid

Mol. Formula:
C14H10N4O6S

M.W.:
362.32

Type:
---

AlogP:
2.62

Polar Surface Area:
151.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271480

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

Mol. Formula:
C23H21F3N8S

M.W.:
498.54

Type:
---

AlogP:
3.67

Polar Surface Area:
109.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5270851

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

Mol. Formula:
C23H22ClN9S

M.W.:
492.01

Type:
---

AlogP:
3.29

Polar Surface Area:
114.43

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270661

Name:
4-[(2Z)-2-[1-(4-ethoxycarbonylphenyl)-3-(4-nitrophenyl)-5-oxo-pyrazolidin-4Show More⌵

Mol. Formula:
C24H21N5O8S

M.W.:
539.53

Type:
---

AlogP:
3.08

Polar Surface Area:
180.54

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5270502

Name:
6-((1S,6R,7S)-7-(aminomethyl)-7-(4-methylthiazol-2-yl)-3-azabicyclo[4.1.0]hShow More⌵

Mol. Formula:
C21H22F3N7S2

M.W.:
493.58

Type:
---

AlogP:
3.74

Polar Surface Area:
106.84

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5270277

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

Mol. Formula:
C23H21Cl2N7

M.W.:
466.38

Type:
---

AlogP:
4.07

Polar Surface Area:
96.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5270041

Name:
methyl 3-(2-(5-(N-(4-fluorobenzyl)sulfamoyl)-2-oxoindolin-3-ylidene)hydraziShow More⌵

Mol. Formula:
C23H19FN4O5S

M.W.:
482.49

Type:
---

AlogP:
2.86

Polar Surface Area:
125.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5269824

Name:
((1S,6R,7S)-7-(4-methylthiazol-2-yl)-3-(5-((2-(trifluoromethyl)pyridin-3-ylShow More⌵

Mol. Formula:
C22H21F3N8S2

M.W.:
518.59

Type:
---

AlogP:
4.04

Polar Surface Area:
109.50

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5269651

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

Mol. Formula:
C16H16F3N7S

M.W.:
395.41

Type:
---

AlogP:
2.85

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5269591

Name:
1-(6-(2,3-dichlorophenoxy)-1H-imidazo[4,5-b]pyrazin-2-yl)-4-methylpiperidinShow More⌵

Mol. Formula:
C17H18Cl2N6O

M.W.:
393.28

Type:
---

AlogP:
3.77

Polar Surface Area:
92.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5269504

Name:
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-hydrShow More⌵

Mol. Formula:
C19H23F3N6O3S

M.W.:
472.49

Type:
---

AlogP:
1.96

Polar Surface Area:
132.52

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5268861

Name:
(R)-8-(5-((2-(trifluoromethyl)pyridin-3-yl)thio)-1H-imidazo[4,5-b]pyrazin-2Show More⌵

Mol. Formula:
C20H22F3N7S

M.W.:
449.51

Type:
---

AlogP:
4.02

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5268667

Name:
N-(quinolin-4-yl)acrylamide

Mol. Formula:
C12H10N2O

M.W.:
198.22

Type:
---

AlogP:
2.36

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5268577

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

Mol. Formula:
C21H19ClN10S

M.W.:
478.97

Type:
---

AlogP:
2.37

Polar Surface Area:
127.32

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268520

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

Mol. Formula:
C18H19F3N6S

M.W.:
408.45

Type:
---

AlogP:
3.84

Polar Surface Area:
83.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5268100

Name:
3-[1-[[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-ethoxy-4-hydroxy-phenylShow More⌵

Mol. Formula:
C31H28Cl2N2O4

M.W.:
563.48

Type:
---

AlogP:
6.86

Polar Surface Area:
78.87

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

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