Compounds

ALA5279892

Name:
2-((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethylamino)methyl)-N-ethyShow More⌵

Mol. Formula:
C17H29N5O2

M.W.:
335.45

Type:
---

AlogP:
0.33

Polar Surface Area:
77.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5278205

Name:
3-(2-(4-chlorophenyl)acetamido)isonicotinic acid

Mol. Formula:
C14H11ClN2O3

M.W.:
290.71

Type:
---

AlogP:
2.61

Polar Surface Area:
79.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5277258

Name:
2-chloro-N-(2-(4-(3-cyano-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimShow More⌵

Mol. Formula:
C17H18ClN7O2

M.W.:
387.83

Type:
---

AlogP:
1.24

Polar Surface Area:
120.87

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5277129

Name:
N-(3-((methyl(2-(1-(4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-8-yl)-1H-pyrazoShow More⌵

Mol. Formula:
C23H23N7O2

M.W.:
429.48

Type:
---

AlogP:
2.30

Polar Surface Area:
108.80

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5276370

Name:
8-(4-(2-(4-acryloylpiperidin-1-yl)ethyl)-1H-pyrazol-1-yl)pyrido[3,4-d]pyrimShow More⌵

Mol. Formula:
C20H22N6O2

M.W.:
378.44

Type:
---

AlogP:
1.51

Polar Surface Area:
96.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5274997

Name:
2-chloro-N-(3-((methyl(2-(1-(4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-8-yl)-Show More⌵

Mol. Formula:
C22H22ClN7O2

M.W.:
451.92

Type:
---

AlogP:
2.36

Polar Surface Area:
108.80

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5273968

Name:
N-(2-(2-chlorophenyl)-2-morpholinoethyl)-3-isopropyl-1H-pyrazole-5-carboxamShow More⌵

Mol. Formula:
C19H25ClN4O2

M.W.:
376.89

Type:
---

AlogP:
2.99

Polar Surface Area:
70.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5290962

Name:
N-(2-(4-(3-cyano-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-ylShow More⌵

Mol. Formula:
C21H21N5O3

M.W.:
391.43

Type:
---

AlogP:
2.37

Polar Surface Area:
112.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5290530

Name:
3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridShow More⌵

Mol. Formula:
C21H23F2N5O2

M.W.:
415.44

Type:
---

AlogP:
3.91

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5285949

Name:
(E)-4-(dimethylamino)-N-(3-((methyl(2-(1-(4-oxo-3,4-dihydropyrido[3,4-d]pyrShow More⌵

Mol. Formula:
C26H30N8O2

M.W.:
486.58

Type:
---

AlogP:
2.23

Polar Surface Area:
112.04

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5285505

Name:
2-chloro-N-(2-(4-(3-cyano-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimShow More⌵

Mol. Formula:
C20H20ClN5O3

M.W.:
413.87

Type:
---

AlogP:
2.42

Polar Surface Area:
112.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5269420

Name:
2-((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethylamino)methyl)-N,N-diShow More⌵

Mol. Formula:
C17H29N5O2

M.W.:
335.45

Type:
---

AlogP:
0.28

Polar Surface Area:
68.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5269187

Name:
5-(1-(1-(2-chloroacetyl)piperidin-4-yl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-Show More⌵

Mol. Formula:
C20H22ClN7O2

M.W.:
427.90

Type:
---

AlogP:
2.28

Polar Surface Area:
112.08

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5268613

Name:
6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one

Mol. Formula:
C8H8N4O

M.W.:
176.18

Type:
---

AlogP:
-0.09

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5268579

Name:
5-(1-(1-acryloylpiperidin-4-yl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihyShow More⌵

Mol. Formula:
C21H23N7O2

M.W.:
405.46

Type:
---

AlogP:
2.23

Polar Surface Area:
112.08

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5268189

Name:
2-((3-fluorobenzyl)amino)isonicotinic acid

Mol. Formula:
C13H11FN2O2

M.W.:
246.24

Type:
---

AlogP:
2.53

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197642

Name:
(R)-1-ethyl-3-(1-(5-phenyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl)urea

Mol. Formula:
C17H21N5O2

M.W.:
327.39

2 activity values

1 unique targets

Type:
---

AlogP:
1.61

Polar Surface Area:
90.12

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5204336

Name:
(R)-1,1-diethyl-3-(1-(5-phenyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl)urea

Mol. Formula:
C19H25N5O2

M.W.:
355.44

2 activity values

1 unique targets

Type:
---

AlogP:
2.34

Polar Surface Area:
81.33

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5203703

Name:
(R)-1-(1-(5-isopropyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl)-3-phenylurea

Mol. Formula:
C18H23N5O2

M.W.:
341.42

2 activity values

1 unique targets

Type:
---

AlogP:
2.57

Polar Surface Area:
90.12

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5203125

Name:
(R)-N-(1-(5-isopropyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl)morpholine-4-cShow More⌵

Mol. Formula:
C16H25N5O3

M.W.:
335.41

2 activity values

1 unique targets

Type:
---

AlogP:
0.79

Polar Surface Area:
90.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS