Compounds

ALA5270196

Name:
1-Methyl-4-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pShow More⌵

Mol. Formula:
C14H16N8O

M.W.:
312.34

Type:
---

AlogP:
0.03

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5269835

Name:
(rac)-8-(3-(1-Isopropyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-Show More⌵

Mol. Formula:
C19H23N7O

M.W.:
365.44

Type:
---

AlogP:
2.38

Polar Surface Area:
92.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5269807

Name:
1,3,3-Trimethyl-4-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidinShow More⌵

Mol. Formula:
C16H20N8O

M.W.:
340.39

Type:
---

AlogP:
0.81

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5268285

Name:
(rac)-8-(3-(1-Ethyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-3-meShow More⌵

Mol. Formula:
C18H21N7O

M.W.:
351.41

Type:
---

AlogP:
1.82

Polar Surface Area:
92.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5278730

Name:
(rac)-8-(3-(1-(2-Methoxyethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidinShow More⌵

Mol. Formula:
C18H22N8O2

M.W.:
382.43

Type:
---

AlogP:
0.67

Polar Surface Area:
105.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5278495

Name:
(rac)-3-Isopropyl-8-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidShow More⌵

Mol. Formula:
C19H23N7O

M.W.:
365.44

Type:
---

AlogP:
2.11

Polar Surface Area:
92.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5277113

Name:
(rac)-3-(2-Fluoroethyl)-8-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pShow More⌵

Mol. Formula:
C18H20FN7O

M.W.:
369.40

Type:
---

AlogP:
1.67

Polar Surface Area:
92.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5275335

Name:
8-[3-(1-cyclobutyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-metShow More⌵

Mol. Formula:
C19H22N8O

M.W.:
378.44

Type:
---

AlogP:
1.75

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5286909

Name:
(1R,5S)-8-(3-(1-cyclobutyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yShow More⌵

Mol. Formula:
C19H22N8O

M.W.:
378.44

Type:
---

AlogP:
1.75

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5284555

Name:
(rac)-8-(3-(1-Cyclopropyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-ylShow More⌵

Mol. Formula:
C18H20N8O

M.W.:
364.41

Type:
---

AlogP:
1.36

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5284513

Name:
(rac)-1,5-dimethyl-4-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimiShow More⌵

Mol. Formula:
C15H18N8O

M.W.:
326.36

Type:
---

AlogP:
0.42

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5283874

Name:
(rac)-1,3-Dimethyl-4-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimiShow More⌵

Mol. Formula:
C15H18N8O

M.W.:
326.36

Type:
---

AlogP:
0.42

Polar Surface Area:
95.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5290074

Name:
(rac)-3-Methyl-8-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-Show More⌵

Mol. Formula:
C17H19N7O

M.W.:
337.39

Type:
---

AlogP:
1.34

Polar Surface Area:
92.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5288223

Name:
8-(3-(1-((1r,4r)-4-Hydroxycyclohexyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyShow More⌵

Mol. Formula:
C21H26N8O2

M.W.:
422.49

Type:
---

AlogP:
1.50

Polar Surface Area:
116.06

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5196280

Name:
Rac-N-Methyl-3-(7-(1-methyl-1H-pyrazol-4-yl)-6-((tetrahydrofuran-3-yl)oxy)iShow More⌵

Mol. Formula:
C22H22N6O3

M.W.:
418.46

4 activity values

4 unique targets

Type:
---

AlogP:
2.32

Polar Surface Area:
95.57

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5267611

Name:
(rac)-3-Methyl-8-(3-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3Show More⌵

Mol. Formula:
C21H27N9O2

M.W.:
437.51

Type:
---

AlogP:
0.36

Polar Surface Area:
108.30

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5266801

Name:
(rac)-3-Ethyl-8-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5Show More⌵

Mol. Formula:
C18H21N7O

M.W.:
351.41

Type:
---

AlogP:
1.73

Polar Surface Area:
92.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5266059

Name:
(rac)-3-Methyl-8-(3-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1H-pyrazShow More⌵

Mol. Formula:
C20H24N8O2

M.W.:
408.47

Type:
---

AlogP:
1.38

Polar Surface Area:
105.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5206837

Name:
(S)-4-Fluoro-N,3-dimethyl-5-(7-(1-methyl-1H-pyrazol-4-yl)-6-((tetrahydrofurShow More⌵

Mol. Formula:
C23H23FN6O3

M.W.:
450.47

7 activity values

7 unique targets

Type:
---

AlogP:
2.77

Polar Surface Area:
95.57

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5206623

Name:
4-(2-(2,6-dichloro-3,5-dimethoxyphenylamino)pyridin-3-yl)-N-(6-morpholinopyShow More⌵

Mol. Formula:
C25H24Cl2N8O3

M.W.:
555.43

10 activity values

7 unique targets

Type:
---

AlogP:
4.98

Polar Surface Area:
119.44

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS