Compounds

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
75.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA372021

Name:
8-Cyclopentyl-5-methyl-2-(4-piperidin-1-yl-phenylamino)-8H-pyrido[2,3-d]pyrShow More⌵

Mol. Formula:
C24H29N5O

M.W.:
403.53

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
63.05

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA427535

Name:
6-Bromo-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyridin-2-ylamino)-5-methyl-8Show More⌵

Mol. Formula:
C23H28BrN7O

M.W.:
498.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
87.97

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA193177

Name:
6-Acetyl-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyridin-2-ylamino)-5-methyl-Show More⌵

Mol. Formula:
C25H31N7O2

M.W.:
461.57

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
105.04

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA359761

Name:
6-Bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimiShow More⌵

Mol. Formula:
C18H18BrN5O

M.W.:
400.28

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA189215

Name:
6-Acetyl-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3Show More⌵

Mol. Formula:
C23H27N7O2

M.W.:
433.52

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
105.04

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA425546

Name:
8-Isopropyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C19H23N7O

M.W.:
365.44

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
87.97

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA370295

Name:
6-Acetyl-8-cyclopentyl-5-methyl-2-(5-morpholin-4-yl-pyridin-2-ylamino)-8H-pShow More⌵

Mol. Formula:
C24H28N6O3

M.W.:
448.53

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
102.24

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA189978

Name:
6-Bromo-8-cyclopentyl-2-[5-(3,5-dimethyl-piperazin-1-yl)-pyridin-2-ylamino]Show More⌵

Mol. Formula:
C24H30BrN7O

M.W.:
512.46

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
87.97

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA189099

Name:
8-Cyclopentyl-6-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3Show More⌵

Mol. Formula:
C22H27N7O

M.W.:
405.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
87.97

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA190685

Name:
8-Cyclopentyl-2-[4-((3S,5R)-3,5-dimethyl-piperazin-1-yl)-phenylamino]-5-metShow More⌵

Mol. Formula:
C25H32N6O

M.W.:
432.57

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
75.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA190684

Name:
8-Cyclopentyl-5-methyl-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-8H-pyridShow More⌵

Mol. Formula:
C24H30N6O

M.W.:
418.55

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA190332

Name:
8-Cyclopentyl-6-(2-ethoxy-ethoxy)-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8HShow More⌵

Mol. Formula:
C25H33N7O3

M.W.:
479.59

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
106.43

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA190281

Name:
6-Bromo-8-cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-8H-pyrido[2,3-d]pyriShow More⌵

Mol. Formula:
C22H25BrN6O

M.W.:
469.39

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
75.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA371198

Name:
8-Cyclopentyl-6-ethoxymethyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyriShow More⌵

Mol. Formula:
C24H31N7O2

M.W.:
449.56

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
97.20

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA426818

Name:
8-Cyclopentyl-5-methyl-7-oxo-2-(4-piperazin-1-yl-phenylamino)-7,8-dihydro-pShow More⌵

Mol. Formula:
C25H30N6O3

M.W.:
462.55

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
101.38

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA428630

Name:
8-Isopropyl-5-methyl-2-(4-piperazin-1-yl-phenylamino)-8H-pyrido[2,3-d]pyrimShow More⌵

Mol. Formula:
C21H26N6O

M.W.:
378.48

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
75.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA372712

Name:
6-Acetyl-8-cyclopentyl-2-[5-(3,3-dimethyl-piperazin-1-yl)-pyridin-2-ylaminoShow More⌵

Mol. Formula:
C26H33N7O2

M.W.:
475.60

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
105.04

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA426997

Name:
8-Cyclopentyl-2-(4-[1,4]diazepan-1-yl-phenylamino)-5-methyl-8H-pyrido[2,3-dShow More⌵

Mol. Formula:
C24H30N6O

M.W.:
418.55