Compounds

ALA5272585

Name:
(1R,3S)-3-(3-((3H-imidazo[4,5-c]pyridin-4-yl)amino)-1H-pyrazol-5-yl)cyclopeShow More⌵

Mol. Formula:
C18H23N7O2

M.W.:
369.43

Type:
---

AlogP:
3.20

Polar Surface Area:
120.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271882

Name:
8-Cyclopentyl-2-{[1-(methanesulfonyl)piperidin-4-yl]amino}-pyrido[2,3-d]pyrShow More⌵

Mol. Formula:
C18H25N5O3S

M.W.:
391.50

Type:
---

AlogP:
1.74

Polar Surface Area:
97.19

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5271753

Name:
6-Chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methanesulfonyl)pShow More⌵

Mol. Formula:
C19H26ClN5O4S

M.W.:
455.97

Type:
---

AlogP:
1.76

Polar Surface Area:
117.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5271375

Name:
(S)-2-((4-((6-(((4,6-dimethylpyridin-3-yl)methyl)amino)pyrimidin-4-yl)(isopShow More⌵

Mol. Formula:
C24H32N6O

M.W.:
420.56

Type:
---

AlogP:
4.44

Polar Surface Area:
86.20

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271228

Name:
(1R,3S)-3-(2-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloShow More⌵

Mol. Formula:
C20H25N5O2

M.W.:
367.45

Type:
---

AlogP:
3.73

Polar Surface Area:
84.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5270806

Name:
6-(Pentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl benzoate

Mol. Formula:
C17H18N4O2S

M.W.:
342.42

Type:
---

AlogP:
3.85

Polar Surface Area:
80.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5270220

Name:
(1(1S),1(3R),Z)-2(1)H-6,12-dioxa-3,10-diaza-4(2,6)-pyridina-2(5,3)-pyrazolaShow More⌵

Mol. Formula:
C18H23N5O3

M.W.:
357.41

Type:
---

AlogP:
2.83

Polar Surface Area:
101.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5269912

Name:
8-Cyclopentyl-6-(hydroxymethyl)-2-{[1-(methanesulfonyl)-piperidin-4-yl]aminShow More⌵

Mol. Formula:
C19H27N5O4S

M.W.:
421.52

Type:
---

AlogP:
1.23

Polar Surface Area:
117.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5269336

Name:
8-Cycloheptyl-2-{[1-(methanesulfonyl)piperidin-4-yl]amino}-pyrido[2,3-d]pyrShow More⌵

Mol. Formula:
C20H29N5O3S

M.W.:
419.55

Type:
---

AlogP:
2.52

Polar Surface Area:
97.19

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5269057

Name:
N-(5-(3-cyclopentyl-5-methylphenyl)-1H-pyrazol-3-yl)-1-(methylsulfonyl)pipeShow More⌵

Mol. Formula:
C21H30N4O2S

M.W.:
402.56

Type:
---

AlogP:
3.88

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5268589

Name:
N-(2-chlorophenyl)-6-(phenethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C19H16ClN5S

M.W.:
381.89

Type:
---

AlogP:
5.08

Polar Surface Area:
66.49

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5268336

Name:
6-(Pentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl 3,3-dimethylbutanoate

Mol. Formula:
C16H24N4O2S

M.W.:
336.46

Type:
---

AlogP:
3.98

Polar Surface Area:
80.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5268323

Name:
(1R,3S)-3-(3-((6-(methylcarbamoyl)pyridin-2-yl)amino)-1H-pyrazol-5-yl)cycloShow More⌵

Mol. Formula:
C19H26N6O3

M.W.:
386.46

Type:
---

AlogP:
2.68

Polar Surface Area:
121.03

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5267779

Name:
5-(1-(4-hydroxyphenyl)-5-phenyl-1H-pyrazolo[4,3-e][1,2,4]triazin-3-yl)benzeShow More⌵

Mol. Formula:
C22H15N5O4

M.W.:
413.39

Type:
---

AlogP:
3.37

Polar Surface Area:
137.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5281860

Name:
6-(2-Fluoropropyl)-8-((1R,2R)-2-hydroxy-2-methylcyclopentyl)-2-((1-(methylsShow More⌵

Mol. Formula:
C21H29F2N5O4S

M.W.:
485.56

Type:
---

AlogP:
1.91

Polar Surface Area:
117.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5281770

Name:
2-{[1-(Methanesulfonyl)piperidin-4-yl]amino}-8-[(1R,2S)-2-methylcyclopentylShow More⌵

Mol. Formula:
C19H27N5O3S

M.W.:
405.52

Type:
---

AlogP:
1.99

Polar Surface Area:
97.19

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5281457

Name:
6-bromo-7-(isopropylamino)-2-(4-(methylsulfonyl)phenyl)pyrido[2,3-d]pyrimidShow More⌵

Mol. Formula:
C17H17BrN4O3S

M.W.:
437.32

Type:
---

AlogP:
2.97

Polar Surface Area:
104.81

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280948

Name:
N-(4-(methylthio)phenyl)-6-(pentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C17H21N5S2

M.W.:
359.52

Type:
---

AlogP:
5.10

Polar Surface Area:
66.49

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5280936

Name:
6-(Pentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl benzofuran-2-carboxylate

Mol. Formula:
C19H18N4O3S

M.W.:
382.45

Type:
---

AlogP:
4.60

Polar Surface Area:
93.90

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5280928

Name:
6-Acetyl-8-cyclopentyl-2-{[1-(methanesulfonyl)piperidin-4-yl]-amino}-5-methShow More⌵

Mol. Formula:
C21H29N5O4S

M.W.:
447.56

Type:
---

AlogP:
2.25

Polar Surface Area:
114.26

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS