Compounds

Type:
---

AlogP:
5.19

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5201325

Name:
3,5-Dimethyl-1-phenyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide

Mol. Formula:
C21H18N4O

M.W.:
342.40

Type:
---

AlogP:
4.29

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5201082

Name:
1-(2,6-Dichlorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C21H16Cl2N4O

M.W.:
411.29

Type:
---

AlogP:
5.60

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5201010

Name:
1-(2,5-Dimethylphenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C23H22N4O

M.W.:
370.46

Type:
---

AlogP:
4.91

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5200990

Name:
3,5-Dimethyl-N-(quinolin-2-yl)-1-(o-tolyl)-1H-pyrazole-4-carboxamide

Mol. Formula:
C22H20N4O

M.W.:
356.43

4 activity values

3 unique targets

Type:
---

AlogP:
4.60

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5199170

Name:
1-(2-Bromophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide

Mol. Formula:
C21H17BrN4O

M.W.:
421.30

4 activity values

3 unique targets

Type:
---

AlogP:
5.05

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5197835

Name:
1-(2,4-Dimethylphenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C23H22N4O

M.W.:
370.46

Type:
---

AlogP:
4.91

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5197208

Name:
1-(2-Isopropylphenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamShow More⌵

Mol. Formula:
C24H24N4O

M.W.:
384.48

Type:
---

AlogP:
5.41

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5196978

Name:
1-(2,5-Dichlorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C21H16Cl2N4O

M.W.:
411.29

Type:
---

AlogP:
5.60

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5195176

Name:
1-(2-Chlorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide

Mol. Formula:
C21H17ClN4O

M.W.:
376.85

Type:
---

AlogP:
4.94

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5194093

Name:
1-(2,6-Dimethylphenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C23H22N4O

M.W.:
370.46

Type:
---

AlogP:
4.91

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5190890

Name:
3,5-Dimethyl-1-(naphthalen-1-yl)-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamidShow More⌵

Mol. Formula:
C25H20N4O

M.W.:
392.46

Type:
---

AlogP:
5.44

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5188822

Name:
1-(2-Fluorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide

Mol. Formula:
C21H17FN4O

M.W.:
360.39

Type:
---

AlogP:
4.43

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5183549

Name:
1-(3-Chloro-2-fluorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-caShow More⌵

Mol. Formula:
C21H16ClFN4O

M.W.:
394.84

Type:
---

AlogP:
5.08

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5180303

Name:
1-(2,6-Difluorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C21H16F2N4O

M.W.:
378.38

Type:
---

AlogP:
4.57

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5179016

Name:
1-(2,3-Dichlorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C21H16Cl2N4O

M.W.:
411.29

Type:
---

AlogP:
5.60

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5176251

Name:
1-(2,4-Dichlorophenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C21H16Cl2N4O

M.W.:
411.29

Type:
---

AlogP:
5.60

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5174802

Name:
1-(2-Ethylphenyl)-3,5-dimethyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide

Mol. Formula:
C23H22N4O

M.W.:
370.46

6 activity values

4 unique targets

Type:
---

AlogP:
4.85

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2419900

Name:
2-(4-Methoxyphenyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one

Mol. Formula:
C14H14N2O3

M.W.:
258.28

2 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
64.21

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2419899

Name:
2-(4-(Dimethylamino)phenyl)-7,8-dihydro-3H-pyrano[4,3-d]-pyrimidin-4(5H)-onShow More⌵

Mol. Formula:
C15H17N3O2

M.W.:
271.32