Compounds

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
100.20

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3967836

Name:
US9409887, I-3

Mol. Formula:
C29H32F3N7O4

M.W.:
599.61

4 activity values

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
129.74

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3962343

Name:
US9409887, I-4

Mol. Formula:
C23H25ClN6O2

M.W.:
452.95

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
100.20

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3956925

Name:
US9409887, I-2

Mol. Formula:
C26H26F3N7O3

M.W.:
541.53

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
120.51

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3814756

Name:
N-(3-(2-(3-Amino-6-(1-(1-(2-(dimethylamino)acetyl)piperidin-4-yl)-1H-pyrazoShow More⌵

Mol. Formula:
C32H34N10O2

M.W.:
590.69

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
140.09

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3813997

Name:
N-(3-(2-(3-Amino-6-(1-(1-(2-hydroxyacetyl)piperidin-4-yl)-1H-pyrazol-4-yl)pShow More⌵

Mol. Formula:
C30H29N9O3

M.W.:
563.62

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
157.08

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3815124

Name:
N-(3-(2-(6-(1-(1-Acetylpiperidin-4-yl)-1H-pyrazol-4-yl)-3-aminopyrazin-2-ylShow More⌵

Mol. Formula:
C30H29N9O2

M.W.:
547.62

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
136.85

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3814884

Name:
N-(3-(2-(3-Amino-6-(1-(1-isopropylpiperidin-4-yl)-1H-pyrazol-4-yl)pyrazin-2Show More⌵

Mol. Formula:
C31H33N9O

M.W.:
547.67

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
119.78

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3814376

Name:
N-(3-(2-(3-Amino-6-(1-(1-ethylpiperidin-4-yl)-1H-pyrazol-4-yl)pyrazin-2-yl)Show More⌵

Mol. Formula:
C30H31N9O

M.W.:
533.64

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
119.78

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3814819

Name:
N-(3-(2-(3-Amino-6-(1-(2-(4-methylpiperazin-1-yl)ethyl)-1H-pyrazol-4-yl)pyrShow More⌵

Mol. Formula:
C30H32N10O

M.W.:
548.66

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
123.02

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3814824

Name:
N-(3-(2-(3-Amino-6-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)pyrazin-2-yl)-1H-Show More⌵

Mol. Formula:
C29H29N9O2

M.W.:
535.61

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
129.01

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3813817

Name:
N-(3-(2-(3-amino-6-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)pyrazin-2-yl)-1H-benShow More⌵

Mol. Formula:
C25H22N8O2

M.W.:
466.51

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
136.77

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3813947

Name:
N-(3-(2-(3-Amino-6-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-yl)-1H-benzo[d]imidaShow More⌵

Mol. Formula:
C24H20N8O

M.W.:
436.48

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
116.54

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3799585

Name:
N-{3-[Hydroxyimino]-2'-oxo-1,3,1',2'-tetrahydro-[2,3']biindolyliden-5'-yl}-Show More⌵

Mol. Formula:
C20H18N4O3

M.W.:
362.39

13 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
102.82

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3608432

Name:
N-((3R,4R)-1-(6-(1,3-dimethyl-1H-pyrazol-4-ylamino)-9-isopropyl-9H-purin-2-Show More⌵

Mol. Formula:
C20H26FN9O

M.W.:
427.49

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
105.79

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3608431

Name:
(S)-N-(1-(9-(2-hydroxyethyl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-9H-pShow More⌵

Mol. Formula:
C25H33N9O2

M.W.:
491.60

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
114.68

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3608430

Name:
1-((3aR,6aS)-5-(9-isopropyl-6-(4-(4-methylpiperazin-1-yl)phenylamino)-9H-puShow More⌵

Mol. Formula:
C28H37N9O

M.W.:
515.67

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
85.66

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3608429

Name:
N-((3R,4R)-4-fluoro-1-(9-isopropyl-6-(1-methyl-1H-pyrazol-4-ylamino)-9H-purShow More⌵

Mol. Formula:
C19H24FN9O

M.W.:
413.46

17 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
105.79

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2386997

Name:
N-(3-((4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)phenyl)Show More⌵

Mol. Formula:
C24H23F2N5O2S

M.W.:
483.54