Compounds

ALA2385601

Name:
7-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)isoquinoline

Mol. Formula:
C22H16N4O

M.W.:
352.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
52.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2385599

Name:
5-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)isoquinoline

Mol. Formula:
C22H16N4O

M.W.:
352.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
52.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2385598

Name:
6-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)isoquinoline

Mol. Formula:
C22H16N4O

M.W.:
352.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
52.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2385595

Name:
3-(2-chloropyridin-4-yl)-6-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-aShow More⌵

Mol. Formula:
C22H21ClN6

M.W.:
404.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
49.56

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2385594

Name:
6-(4-(4-methylpiperazin-1-yl)phenyl)-3-phenylpyrazolo[1,5-a]pyrimidine

Mol. Formula:
C23H23N5

M.W.:
369.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
36.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2385593

Name:
3-(benzo[b]thiophen-3-yl)-6-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-Show More⌵

Mol. Formula:
C25H23N5S

M.W.:
425.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
36.67

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2385592

Name:
3-(benzo[b]thiophen-3-yl)-6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimiShow More⌵

Mol. Formula:
C24H21N5S

M.W.:
411.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
45.46

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2385590

Name:
3-phenyl-6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidine

Mol. Formula:
C22H21N5

M.W.:
355.45

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2385589

Name:
3-bromo-6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidine

Mol. Formula:
C16H16BrN5

M.W.:
358.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2385588

Name:
3-(2-chloropyridin-4-yl)-6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C21H19ClN6

M.W.:
390.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2385587

Name:
3-(2-methyl-2H-indazol-4-yl)-6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C24H23N7

M.W.:
409.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
63.28

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2385586

Name:
6-(4-(piperazin-1-yl)phenyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

Mol. Formula:
C19H19N7

M.W.:
345.41

11 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
74.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2385585

Name:
4-(4-(3-(benzo[b]thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpholShow More⌵

Mol. Formula:
C24H20N4OS

M.W.:
412.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
42.66

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2385584

Name:
4-(4-(3-(2-methyl-2H-indazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpShow More⌵

Mol. Formula:
C24H22N6O

M.W.:
410.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
60.48

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2385583

Name:
4-(4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpholine

Mol. Formula:
C22H20N4O

M.W.:
356.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2385581

Name:
4-(4-(3-(2-chloropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpholiShow More⌵

Mol. Formula:
C21H18ClN5O

M.W.:
391.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
55.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2385580

Name:
4-(4-(3-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)pheShow More⌵

Mol. Formula:
C30H25N5O3S

M.W.:
535.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
81.73

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2385578

Name:
7-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)thieno[3,2-b]pyridine

Mol. Formula:
C20H14N4OS

M.W.:
358.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
52.31

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2385577

Name:
3-(benzo[b]thiophen-3-yl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

Mol. Formula:
C21H15N3OS

M.W.:
357.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
39.42

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2385576

Name:
3-(imidazo[1,2-a]pyridin-3-yl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

Mol. Formula:
C20H15N5O

M.W.:
341.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
56.72

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS