Compounds

ALA5272694

Name:
7-(1-acryloylpiperidin-4-yl)-2-(4-cyclopentyl-3,5-dimethoxyphenyl)-4,5,6,7-Show More⌵

Mol. Formula:
C28H37N5O4

M.W.:
507.64

Type:
---

AlogP:
4.11

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5272404

Name:
7-(2-acrylamidophenyl)-2-(4-cyclopropyl-3,5-dimethoxyphenyl)-4,5,6,7-tetrahShow More⌵

Mol. Formula:
C27H29N5O4

M.W.:
487.56

Type:
---

AlogP:
4.07

Polar Surface Area:
120.50

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272121

Name:
7-(1-acryloylpiperidin-4-yl)-2-(4-bromo-3-chloro-5-methoxyphenyl)-4,5,6,7-tShow More⌵

Mol. Formula:
C22H25BrClN5O3

M.W.:
522.83

Type:
---

AlogP:
3.85

Polar Surface Area:
102.48

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5271975

Name:
3-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-[2-methyl-4-(oxetan-3-yl)piperazin-1Show More⌵

Mol. Formula:
C38H45N7O4

M.W.:
663.82

Type:
---

AlogP:
4.18

Polar Surface Area:
108.10

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5271932

Name:
7-(1-acryloylpiperidin-4-yl)-2-(3,5-dimethoxy-4-propylphenyl)-4,5,6,7-tetraShow More⌵

Mol. Formula:
C26H35N5O4

M.W.:
481.60

Type:
---

AlogP:
3.40

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5271514

Name:
1-(4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidiShow More⌵

Mol. Formula:
C25H23ClN6O2

M.W.:
474.95

Type:
---

AlogP:
4.78

Polar Surface Area:
99.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5271354

Name:
7-(1-acryloylpiperidin-4-yl)-2-(3,5-dimethoxy-4-(1-methylcyclopropyl)phenylShow More⌵

Mol. Formula:
C27H35N5O4

M.W.:
493.61

Type:
---

AlogP:
3.50

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5270872

Name:
(S)-1-(3-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-2-((3-chloShow More⌵

Mol. Formula:
C19H20ClFN6O

M.W.:
402.86

Type:
---

AlogP:
3.27

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5270491

Name:
4-((19-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-ylShow More⌵

Mol. Formula:
C50H58N8O11

M.W.:
947.06

Type:
---

AlogP:
5.53

Polar Surface Area:
228.86

HBA:
16

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5270042

Name:
7-(1-acryloylpiperidin-4-yl)-2-(4-methoxy-1-methyl-1H-indol-6-yl)-4,5,6,7-tShow More⌵

Mol. Formula:
C25H30N6O3

M.W.:
462.55

Type:
---

AlogP:
2.93

Polar Surface Area:
107.41

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5269771

Name:
(3R,4S)-3-[3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-piperidyl]-1-(5-Show More⌵

Mol. Formula:
C22H22ClF4N7O4

M.W.:
559.91

Type:
---

AlogP:
2.98

Polar Surface Area:
147.59

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5269683

Name:
7-(1-acryloylpiperidin-4-yl)-2-(4-ethyl-3,5-dimethoxyphenyl)-4,5,6,7-tetrahShow More⌵

Mol. Formula:
C25H33N5O4

M.W.:
467.57

Type:
---

AlogP:
3.01

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5269628

Name:
7-(1-acryloylpiperidin-4-yl)-2-(5-methoxychroman-7-yl)-4,5,6,7-tetrahydropyShow More⌵

Mol. Formula:
C25H31N5O4

M.W.:
465.55

Type:
---

AlogP:
2.76

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5269357

Name:
(R)-1-(3-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-2-((3-chloShow More⌵

Mol. Formula:
C19H20ClFN6O

M.W.:
402.86

Type:
---

AlogP:
3.27

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5269279

Name:
2-((3,5-dichlorophenyl)amino)-1-(6-(methyl(1H-pyrazolo[3,4-d]pyrimidin-4-ylShow More⌵

Mol. Formula:
C19H21Cl2N7O2

M.W.:
450.33

Type:
---

AlogP:
2.44

Polar Surface Area:
99.27

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5269111

Name:
(cis/trans)-2-((3,5-dichlorophenyl)amino)-1-(2-methyl-3-(methyl(7H-pyrrolo[Show More⌵

Mol. Formula:
C21H24Cl2N6O

M.W.:
447.37

Type:
---

AlogP:
4.19

Polar Surface Area:
77.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5268773

Name:
(+/-)-1-((3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[Show More⌵

Mol. Formula:
C21H22ClFN6O

M.W.:
428.90

Type:
---

AlogP:
3.29

Polar Surface Area:
77.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5268388

Name:
NA7-(1-acryloylpiperidin-4-yl)-2-(4-methoxy-3,3-dimethyl-2,3-dihydrobenzofuShow More⌵

Mol. Formula:
C26H33N5O4

M.W.:
479.58

Type:
---

AlogP:
3.11

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282462

Name:
(R)-7-(1-acryloylpiperidin-4-yl)-2-(3,5-dimethoxy-4-methylphenyl)-4,5,6,7-tShow More⌵

Mol. Formula:
C24H31N5O4

M.W.:
453.54

Type:
---

AlogP:
2.76

Polar Surface Area:
111.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280787

Name:
(cis/trans)-1-(3-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidinShow More⌵

Mol. Formula:
C20H22Cl2N6O

M.W.:
433.34

Type:
---

AlogP:
4.17

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS