Compounds

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3760043

Name:
5-[2-(4-Methoxybenzamido)thiazol-5-yl]picolinic Acid

Mol. Formula:
C17H13N3O4S

M.W.:
355.38

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
101.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3718262

Name:
3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5a]pyrimidin-Show More⌵

Mol. Formula:
C22H20ClN3O3

M.W.:
409.87

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
68.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3715144

Name:
3-Benzyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one

Mol. Formula:
C22H21N3O3

M.W.:
375.43

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
68.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3717637

Name:
3-(4-Chlorobenzyl)-2-methyl-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5a]pyriShow More⌵

Mol. Formula:
C21H15ClF3N3O

M.W.:
417.82

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3718878

Name:
4-(3-(4-Chlorobenzyl)-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5yShow More⌵

Mol. Formula:
C21H17ClN4O2

M.W.:
392.85

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
93.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3718477

Name:
Methyl4-(3-(4-chlorobenzyl)-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5a]pyrimidShow More⌵

Mol. Formula:
C22H18ClN3O3

M.W.:
407.86

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
76.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3715675

Name:
3-(4-Chlorobenzyl)-5-(3-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4Show More⌵

Mol. Formula:
C21H18ClN3O2

M.W.:
379.85

1 activity values

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3717587

Name:
3-(4-Chlorobenzyl)-5-(4-isopropoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-Show More⌵

Mol. Formula:
C23H22ClN3O2

M.W.:
407.90

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3719324

Name:
3-Benzyl-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one

Mol. Formula:
C20H17N3O

M.W.:
315.38

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3717429

Name:
3-(4-chlorobenzyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one

Mol. Formula:
C20H16ClN3O

M.W.:
349.82

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3716647

Name:
5-(4-Methoxyphenyl)-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

Mol. Formula:
C18H14N4O2

M.W.:
318.34

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
72.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3717687

Name:
5-(2,3-Dihydrobenzofuran-5-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(Show More⌵

Mol. Formula:
C21H17N3O2

M.W.:
343.39

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3717491

Name:
3-(4-Fluorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

Mol. Formula:
C19H14FN3O2

M.W.:
335.34

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3717873

Name:
5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(pyridin-2-yl)pyrazolo[1,5-a]pyriShow More⌵

Mol. Formula:
C19H14N4O3

M.W.:
346.35

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
81.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3715111

Name:
5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyriShow More⌵

Mol. Formula:
C19H14N4O3

M.W.:
346.35

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
81.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3717141

Name:
5-(Benzo[d][1,3]dioxol-5-yl)-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)Show More⌵

Mol. Formula:
C18H12N4O3

M.W.:
332.32

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
81.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3718833

Name:
5-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimiShow More⌵

Mol. Formula:
C19H14N4O3

M.W.:
346.35

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
81.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3714956

Name:
5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-3-(pyridin-2-yl)pyrazolo[1Show More⌵

Mol. Formula:
C20H16N4O3

M.W.:
360.37