Compounds

ALA5266578

Name:
1-(2-oxo-2-(piperidin-4-ylamino)ethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamShow More⌵

Mol. Formula:
C15H19N5O2

M.W.:
301.35

Type:
---

AlogP:
0.00

Polar Surface Area:
102.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5266230

Name:
1-(2-(azetidin-3-ylamino)-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamiShow More⌵

Mol. Formula:
C13H15N5O2

M.W.:
273.30

Type:
---

AlogP:
-0.78

Polar Surface Area:
102.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5281955

Name:
5-aminopicolinamide

Mol. Formula:
C6H7N3O

M.W.:
137.14

Type:
---

AlogP:
-0.24

Polar Surface Area:
82.00

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281871

Name:
1-(4-(aminomethyl)benzyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Mol. Formula:
C16H16N4O

M.W.:
280.33

Type:
---

AlogP:
1.64

Polar Surface Area:
86.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279532

Name:
6-((1-phenylcyclopropyl)amino)nicotinamide

Mol. Formula:
C15H15N3O

M.W.:
253.31

Type:
---

AlogP:
2.28

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5276604

Name:
6-(cyclopentylamino)nicotinamide

Mol. Formula:
C11H15N3O

M.W.:
205.26

Type:
---

AlogP:
1.53

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5274574

Name:
1-(2-(methyl(piperidin-4-yl)amino)-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-5-Show More⌵

Mol. Formula:
C16H21N5O2

M.W.:
315.38

Type:
---

AlogP:
0.35

Polar Surface Area:
93.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5273928

Name:
6-(benzylamino)nicotinamide

Mol. Formula:
C13H13N3O

M.W.:
227.27

Type:
---

AlogP:
1.79

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5290159

Name:
6-((4-(aminomethyl)benzyl)amino)nicotinamide

Mol. Formula:
C14H16N4O

M.W.:
256.31

Type:
---

AlogP:
1.25

Polar Surface Area:
94.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5288124

Name:
1-(2-oxo-2-(piperazin-1-yl)ethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Mol. Formula:
C14H17N5O2

M.W.:
287.32

Type:
---

AlogP:
-0.43

Polar Surface Area:
93.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5287635

Name:
1-(2-(methylamino)-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Mol. Formula:
C11H12N4O2

M.W.:
232.24

Type:
---

AlogP:
-0.12

Polar Surface Area:
90.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5283966

Name:
(5-(thiophen-2-yl)-1H-pyrazol-3-yl)methanol

Mol. Formula:
C8H8N2OS

M.W.:
180.23

Type:
---

AlogP:
1.63

Polar Surface Area:
48.91

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA5268916

Name:
6-((3-(aminomethyl)benzyl)amino)nicotinamide

Mol. Formula:
C14H16N4O

M.W.:
256.31

Type:
---

AlogP:
1.25

Polar Surface Area:
94.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5268458

Name:
6-(neopentylamino)nicotinamide

Mol. Formula:
C11H17N3O

M.W.:
207.28

Type:
---

AlogP:
1.64

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5268413

Name:
1-(4-(aminomethyl)benzyl)-1H-indole-5-carboxamide

Mol. Formula:
C17H17N3O

M.W.:
279.34

Type:
---

AlogP:
2.25

Polar Surface Area:
74.04

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5267738

Name:
6-((3-(3-(trifluoromethyl)piperazin-1-yl)benzyl)amino)nicotinamide

Mol. Formula:
C18H20F3N5O

M.W.:
379.39

Type:
---

AlogP:
2.13

Polar Surface Area:
83.28

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5271824

Name:
2-aminobenzo[d]thiazole-6-carboxamide

Mol. Formula:
C8H7N3OS

M.W.:
193.23

Type:
---

AlogP:
0.98

Polar Surface Area:
82.00

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5271522

Name:
(R)-6-((1-phenylethyl)amino)nicotinamide

Mol. Formula:
C14H15N3O

M.W.:
241.29

Type:
---

AlogP:
2.35

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5283956

Name:
6-((2-phenylpropan-2-yl)amino)nicotinamide

Mol. Formula:
C15H17N3O

M.W.:
255.32

Type:
---

AlogP:
2.53

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5283911

Name:
(S)-6-((1-phenylethyl)amino)nicotinamide

Mol. Formula:
C14H15N3O

M.W.:
241.29

Type:
---

AlogP:
2.35

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS