Compounds

ALA5267675

Name:
2-[(2,4-dimethoxyphenyl)amino]-N,5,7-triphenylpyrazolo[1,5-a]pyrimidine-3-cShow More⌵

Mol. Formula:
C33H27N5O3

M.W.:
541.61

Type:
---

AlogP:
7.08

Polar Surface Area:
89.78

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5267242

Name:
2-[(2,4-dimethoxyphenyl)amino]-N-(4-methylphenyl)-5,7-diphenylpyrazolo[1,5-Show More⌵

Mol. Formula:
C34H29N5O3

M.W.:
555.64

Type:
---

AlogP:
7.38

Polar Surface Area:
89.78

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5266179

Name:
2-[(2,4-dimethoxyphenyl)amino]-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-Show More⌵

Mol. Formula:
C16H17N5O4

M.W.:
343.34

Type:
---

AlogP:
1.60

Polar Surface Area:
124.00

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5266119

Name:
N'-(4-(dimethylamino)benzylidene)-2-((7-(4-methoxyphenyl)-5,6-diphenyl-7H-pShow More⌵

Mol. Formula:
C36H32N6O2S

M.W.:
612.76

Type:
---

AlogP:
7.07

Polar Surface Area:
84.64

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5281962

Name:
4-(1H-indol-3-yl)-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiazole

Mol. Formula:
C19H14N4S

M.W.:
330.42

Type:
---

AlogP:
4.85

Polar Surface Area:
46.50

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5281761

Name:
2-[(2,4-dimethoxyphenyl)amino]-7-hydroxy-5-methyl-N-(4-methylphenyl)pyrazolShow More⌵

Mol. Formula:
C23H23N5O4

M.W.:
433.47

Type:
---

AlogP:
4.06

Polar Surface Area:
110.01

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5281485

Name:
4-chloro-N-(4-(3-(3-chloro-4-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yShow More⌵

Mol. Formula:
C29H19Cl2F3N4O2

M.W.:
583.40

Type:
---

AlogP:
8.19

Polar Surface Area:
69.04

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5280913

Name:
4-(5-bromo-1-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(1H-pyrrolo[2,3-b]pyriShow More⌵

Mol. Formula:
C18H12BrN5S

M.W.:
410.30

Type:
---

AlogP:
5.00

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279783

Name:
N-(2,4-dimethoxyphenyl)-2-[(2,4-dimethoxyphenyl)amino]-5,7-dimethylpyrazoloShow More⌵

Mol. Formula:
C25H27N5O5

M.W.:
477.52

Type:
---

AlogP:
4.38

Polar Surface Area:
108.24

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5277961

Name:
2-[(2,4-dimethoxyphenyl)amino]-7-hydroxy-N-(4-methylphenyl)-5-phenylpyrazolShow More⌵

Mol. Formula:
C28H25N5O4

M.W.:
495.54

Type:
---

AlogP:
5.42

Polar Surface Area:
110.01

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5277669

Name:
Gamitrinib

Mol. Formula:
C52H65N3O8P+

M.W.:
891.08

Type:
---

AlogP:
6.91

Polar Surface Area:
166.28

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5276030

Name:
7-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dShow More⌵

Mol. Formula:
C22H21ClFN3O5S

M.W.:
493.94

Type:
---

AlogP:
3.02

Polar Surface Area:
99.92

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5275550

Name:
N'-(4-(dimethylamino)benzylidene)-2-((5-phenyl-7-(p-tolyl)-7H-pyrrolo[2,3-dShow More⌵

Mol. Formula:
C30H28N6OS

M.W.:
520.66

Type:
---

AlogP:
5.70

Polar Surface Area:
75.41

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5275383

Name:
2-[2,6-bis(bromomethyl)-4-methoxy-phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaboShow More⌵

Mol. Formula:
C15H21BBr2O3

M.W.:
419.95

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5275044

Name:
2-[(2,4-dimethoxyphenyl)amino]-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidiShow More⌵

Mol. Formula:
C23H23N5O3

M.W.:
417.47

Type:
---

AlogP:
4.36

Polar Surface Area:
89.78

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5274628

Name:
2-[(2,4-dimethoxyphenyl)amino]-7-hydroxy-5-methyl-N-phenylpyrazolo[1,5-a]pyShow More⌵

Mol. Formula:
C22H21N5O4

M.W.:
419.44

Type:
---

AlogP:
3.76

Polar Surface Area:
110.01

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5290726

Name:
2-((7-(4-methoxyphenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thio)-Show More⌵

Mol. Formula:
C34H26N6O4S

M.W.:
614.69

Type:
---

AlogP:
6.91

Polar Surface Area:
124.54

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5290498

Name:
N-(2,4-dimethoxyphenyl)-2-[(2,4-dimethoxyphenyl)amino]-7-hydroxy-5-methylpyShow More⌵

Mol. Formula:
C24H25N5O6

M.W.:
479.49

Type:
---

AlogP:
3.77

Polar Surface Area:
128.47

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5289269

Name:
2-[(5-oxo-1,6-dihydro-6H-1,2,4-triazin-2-yl)methylthio]-3-benzyl-4-oxo-6-ioShow More⌵

Mol. Formula:
C19H16IN5O2S

M.W.:
505.34

Type:
---

AlogP:
2.47

Polar Surface Area:
79.59

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5286607

Name:
2-[(2,4-dimethoxyphenyl)amino]-7-hydroxy-N,5-diphenylpyrazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C27H23N5O4

M.W.:
481.51

Type:
---

AlogP:
5.12

Polar Surface Area:
110.01

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS