Compounds

ALA5272452

Name:
1-(4-(4-(5-((4-(methylsulfonyl)piperazin-1-yl)methyl)thiophen-2-yl)-6-morphShow More⌵

Mol. Formula:
C27H32N10O4S2

M.W.:
624.75

Type:
---

AlogP:
2.55

Polar Surface Area:
161.57

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5272145

Name:
5-ethyl-1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydroimidazo[1,5-a]quinShow More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
---

AlogP:
2.30

Polar Surface Area:
81.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272007

Name:
4-amino-6-((1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl)amino)pyShow More⌵

Mol. Formula:
C19H15ClN8

M.W.:
390.84

Type:
---

AlogP:
3.47

Polar Surface Area:
117.81

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271447

Name:
8-(dimethylamino)-5-ethyl-4-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyrazolo[Show More⌵

Mol. Formula:
C21H22N6O2

M.W.:
390.45

Type:
---

AlogP:
2.06

Polar Surface Area:
84.53

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5271347

Name:
4-oxo-N-(pyridin-3-ylmethyl)-5-(4-(trifluoromethyl)benzyl)-4,5-dihydropyrazShow More⌵

Mol. Formula:
C25H18F3N5O2

M.W.:
477.45

Type:
---

AlogP:
4.04

Polar Surface Area:
81.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271142

Name:
5-ethyl-4-oxo-N-(pyrazin-2-ylmethyl)-4,5-dihydropyrazolo[1,5-a]quinoxaline-Show More⌵

Mol. Formula:
C18H16N6O2

M.W.:
348.37

Type:
---

AlogP:
1.39

Polar Surface Area:
94.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5270618

Name:
6-ethyl-5-oxo-N-(pyridin-3-ylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-c]quinazShow More⌵

Mol. Formula:
C19H19N5O2

M.W.:
349.39

Type:
---

AlogP:
2.03

Polar Surface Area:
77.90

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5269677

Name:
8-amino-5-ethyl-4-oxo-N-(pyrimidin-5-ylmethyl)-4,5-dihydropyrazolo[1,5-a]quShow More⌵

Mol. Formula:
C18H17N7O2

M.W.:
363.38

Type:
---

AlogP:
0.97

Polar Surface Area:
120.20

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5269418

Name:
5-ethyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyrazolo[1,5-a]quiShow More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
---

AlogP:
2.30

Polar Surface Area:
81.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5268958

Name:
7-ethyl-3,3-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-3,4,6,7-tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C22H25N5O2

M.W.:
391.48

Type:
---

AlogP:
3.06

Polar Surface Area:
77.90

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5268567

Name:
3-(3-fluoro-2-(piperidin-4-yl)benzyl)-2-methyl-6-morpholinoimidazo[1,2-b]pyShow More⌵

Mol. Formula:
C23H29FN6O

M.W.:
424.52

Type:
---

AlogP:
2.65

Polar Surface Area:
80.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5268290

Name:
1-acryloyl-N-(2-(4-(4-(2-amino-4-(difluoromethyl)pyrimidin-5-yl)-6-morpholiShow More⌵

Mol. Formula:
C28H37F2N11O4

M.W.:
629.67

Type:
---

AlogP:
0.22

Polar Surface Area:
167.11

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268033

Name:
5-ethyl-N-(2-morpholinoethyl)-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7Show More⌵

Mol. Formula:
C19H23N5O3

M.W.:
369.43

Type:
---

AlogP:
0.73

Polar Surface Area:
80.87

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5267726

Name:
4-oxo-N-(pyridin-3-ylmethyl)-5-(4-(trifluoromethoxy)benzyl)-4,5-dihydropyraShow More⌵

Mol. Formula:
C25H18F3N5O3

M.W.:
493.45

Type:
---

AlogP:
3.92

Polar Surface Area:
90.52

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5267712

Name:
5-ethyl-N-((4-methylpyridin-3-yl)methyl)-4-oxo-4,5-dihydropyrazolo[1,5-a]quShow More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
---

AlogP:
2.30

Polar Surface Area:
81.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5282340

Name:
5-ethyl-4-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyrazolo[1,5-a]quinoxaline-Show More⌵

Mol. Formula:
C19H17N5O2

M.W.:
347.38

Type:
---

AlogP:
1.99

Polar Surface Area:
81.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5282271

Name:
5-(6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl)-3-(trifluoShow More⌵

Mol. Formula:
C21H18F3N5O2

M.W.:
429.40

Type:
---

AlogP:
4.38

Polar Surface Area:
87.56

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282212

Name:
1-(1H-indazol-5-yl)-3-(4-(4-(5-((4-(methylsulfonyl)piperazin-1-yl)methyl)thShow More⌵

Mol. Formula:
C31H34N10O4S2

M.W.:
674.81

Type:
---

AlogP:
3.70

Polar Surface Area:
161.57

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5281874

Name:
N-(6-(6-chloro-5-(morpholine-4-sulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridShow More⌵

Mol. Formula:
C17H18ClN7O4S

M.W.:
451.90

Type:
---

AlogP:
1.39

Polar Surface Area:
130.82

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281517

Name:
7-(4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl)pyrazolo[1,5-a]quinoxaliShow More⌵

Mol. Formula:
C21H26N6O2

M.W.:
394.48

Type:
---

AlogP:
1.03

Polar Surface Area:
76.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS