Compounds

Dorsomorphin

Name:
6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimShow More⌵

Mol. Formula:
C24H25N5O

M.W.:
399.50

786 activity values

263 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
55.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA467972

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

Mol. Formula:
C26H23N5

M.W.:
405.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA467560

Name:
4-(6-(4-methoxyphenyl)H-pyrazolo[1,5-a]pyridin-3-yl)quinoline

Mol. Formula:
C23H17N3O

M.W.:
351.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
39.42

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA467544

Name:
4-(3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)H-pyrrolo[1,2-a]pyrimidin-8-yl)quiShow More⌵

Mol. Formula:
C29H28N4O

M.W.:
448.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA467543

Name:
4-(3-(4-methoxyphenyl)H-pyrrolo[1,2-a]pyrimidin-8-yl)quinoline

Mol. Formula:
C23H17N3O

M.W.:
351.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
39.42

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA469259

Name:
methyl 3-(4-methoxyphenyl)-8-(quinolin-4-yl)H-pyrrolo[1,2-a]pyrimidine-6-caShow More⌵

Mol. Formula:
C25H19N3O3

M.W.:
409.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
65.72

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA468399

Name:
7-chloro-4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoShow More⌵

Mol. Formula:
C25H21ClN6

M.W.:
440.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA511929

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

Mol. Formula:
C22H15ClN4O

M.W.:
386.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
52.31

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA468216

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

Mol. Formula:
C25H22N6

M.W.:
406.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

LDN-193189

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

Mol. Formula:
C25H22N6

M.W.:
406.49

80 activity values

22 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA467345

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

Mol. Formula:
C21H14N4O

M.W.:
338.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
63.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA469055

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

Mol. Formula:
C21H14N4

M.W.:
322.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
43.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA512294

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

Mol. Formula:
C15H10N4

M.W.:
246.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
43.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA469054

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

Mol. Formula:
C28H27N5O

M.W.:
449.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
55.55

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA469053

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

Mol. Formula:
C28H28N6O

M.W.:
464.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
58.79

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA511563

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

Mol. Formula:
C22H16N4O

M.W.:
352.40

12 activity values

12 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

ALA454786

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

Mol. Formula:
C22H16N4O

M.W.:
352.40

2 activity values

2 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

ML 347

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

Mol. Formula:
C22H16N4O

M.W.:
352.40

36 activity values

23 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

ALA467142

Name:
8-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline

Mol. Formula:
C22H16N4O

M.W.:
352.40

2 activity values

2 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

ALA513333

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

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