Compounds

ALA5272425

Name:
N-(4-(4-Cyanophenyl)pyridin-3-yl)-2-(cyclopropanecarboxamido)isonicotinamidShow More⌵

Mol. Formula:
C22H17N5O2

M.W.:
383.41

Type:
---

AlogP:
3.62

Polar Surface Area:
107.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5271618

Name:
2-(Cyclopropanecarboxamido)-N-(4-(cyclopropylmethoxy)-pyridin-3-yl)isonicotShow More⌵

Mol. Formula:
C19H20N4O3

M.W.:
352.39

Type:
---

AlogP:
2.87

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5271240

Name:
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-7,8,9,10-tetrahydro-6HShow More⌵

Mol. Formula:
C24H26N6O2

M.W.:
430.51

Type:
---

AlogP:
3.08

Polar Surface Area:
79.44

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5270885

Name:
2-(Cyclopropanecarboxamido)-N-(4-(neopentyloxy)pyridin-3-yl)-isonicotinamidShow More⌵

Mol. Formula:
C20H24N4O3

M.W.:
368.44

Type:
---

AlogP:
3.50

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5269649

Name:
2-(Cyclopropanecarboxamido)-N-(4-(4-methoxyphenyl)pyridin-3-yl)isonicotinamShow More⌵

Mol. Formula:
C22H20N4O3

M.W.:
388.43

Type:
---

AlogP:
3.75

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5269343

Name:
4-(4-benzylpiperazin-1-yl)-5-(2-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine-Show More⌵

Mol. Formula:
C25H24N6O

M.W.:
424.51

Type:
---

AlogP:
3.62

Polar Surface Area:
70.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5269271

Name:
(1R,2R,3S,4R,5S)-4-(6-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-Show More⌵

Mol. Formula:
C30H26F2N6O3

M.W.:
556.57

Type:
---

AlogP:
2.50

Polar Surface Area:
125.19

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5268185

Name:
2-(Cyclopropanecarboxamido)-N-(4-(4-fluoro-2-(trifluoromethyl)phenyl)pyridiShow More⌵

Mol. Formula:
C22H16F4N4O2

M.W.:
444.39

Type:
---

AlogP:
4.90

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5281592

Name:
N-(4-(4-Chloro-2-fluorophenyl)pyridin-3-yl)-2-(cyclopropanecarboxamido)isonShow More⌵

Mol. Formula:
C21H16ClFN4O2

M.W.:
410.84

Type:
---

AlogP:
4.54

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5281538

Name:
4-(4-(pyridin-2-yl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole

Mol. Formula:
C19H18N6

M.W.:
330.40

Type:
---

AlogP:
2.83

Polar Surface Area:
60.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5281162

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-benzyl-5H-pyrrolo[3,2-d]pyriShow More⌵

Mol. Formula:
C28H27N7

M.W.:
461.57

Type:
---

AlogP:
4.20

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5280385

Name:
4-(4-benzylpiperazin-1-yl)-5-(4-ethoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine-7Show More⌵

Mol. Formula:
C26H26N6O

M.W.:
438.54

Type:
---

AlogP:
4.01

Polar Surface Area:
70.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5280368

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2,4-dichlorophenyl)pyridin-3-yl)isonicotiShow More⌵

Mol. Formula:
C21H16Cl2N4O2

M.W.:
427.29

Type:
---

AlogP:
5.05

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5280305

Name:
2-(Cyclopropanecarboxamido)-N-(4-(3-fluorophenyl)pyridin-3-yl)isonicotinamiShow More⌵

Mol. Formula:
C21H17FN4O2

M.W.:
376.39

Type:
---

AlogP:
3.88

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5280241

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2-chlorophenyl)pyridin-3-yl)isonicotinamiShow More⌵

Mol. Formula:
C21H17ClN4O2

M.W.:
392.85

Type:
---

AlogP:
4.40

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5279701

Name:
4-(4-phenethylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

Mol. Formula:
C22H23N5

M.W.:
357.46

Type:
---

AlogP:
3.48

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5278847

Name:
N-(4-(4-(tert-Butyl)phenyl)pyridin-3-yl)-2-(cyclopropanecarboxamido)isonicoShow More⌵

Mol. Formula:
C25H26N4O2

M.W.:
414.51

Type:
---

AlogP:
5.04

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5278701

Name:
2-(Cyclopropanecarboxamido)-N-(4-(4-(trifluoromethoxy)-phenyl)pyridin-3-yl)Show More⌵

Mol. Formula:
C22H17F3N4O3

M.W.:
442.40

Type:
---

AlogP:
4.64

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5277187

Name:
2-(Cyclopropanecarboxamido)-N-(pyridin-3-yl)isonicotinamide

Mol. Formula:
C15H14N4O2

M.W.:
282.30

Type:
---

AlogP:
2.08

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5276348

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2,2,2-trifluoroethoxy)-pyridin-3-yl)isoniShow More⌵

Mol. Formula:
C17H15F3N4O3

M.W.:
380.33

Type:
---

AlogP:
3.02

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS