Compounds

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
110.43

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA578336

Name:
1-(5-(4,6-dimethylpyrimidin-2-yl)-7-(pyridin-3-yl)imidazo[1,2-a]pyridin-2-yShow More⌵

Mol. Formula:
C21H21N7O

M.W.:
387.45

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA577478

Name:
1-ethyl-3-(5-(5-methylpyrimidin-2-yl)-7-(pyridin-3-yl)imidazo[1,2-a]pyridinShow More⌵

Mol. Formula:
C20H19N7O

M.W.:
373.42

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA565776

Name:
1-ethyl-3-(7-(6-methoxypyridin-3-yl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-Show More⌵

Mol. Formula:
C21H21N7O2

M.W.:
403.45

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
106.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA565971

Name:
1-(5-(4-cyclopropyl-pyrimidin-2-yl)-7-(pyridin-3-yl)imidazo[1,2-a]pyridin-2Show More⌵

Mol. Formula:
C22H21N7O

M.W.:
399.46

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA565765

Name:
1-ethyl-3-(7-(pyridin-3-yl)-5-(pyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl)urShow More⌵

Mol. Formula:
C19H17N7O

M.W.:
359.39

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA565743

Name:
1-ethyl-3-(7-(1-(2-fluoroethyl)-2-oxo-1,2-dihydropyridin-4-yl)-5-(5-methylpShow More⌵

Mol. Formula:
C22H22FN7O2

M.W.:
435.46

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
106.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA584265

Name:
methyl 2-(2-(3-ethylureido)-7-(pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl)pyriShow More⌵

Mol. Formula:
C21H19N7O3

M.W.:
417.43

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
123.40

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA583440

Name:
2-(4-(2-(3-ethylureido)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-7-yShow More⌵

Mol. Formula:
C22H21N7O4

M.W.:
447.46

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
143.51

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA568021

Name:
1-ethyl-3-(7-(6-methylpyridin-3-yl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-aShow More⌵

Mol. Formula:
C21H21N7O

M.W.:
387.45

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA568020

Name:
1-ethyl-3-(7-(6-methylpyridin-3-yl)-5-(pyrimidin-2-yl)imidazo[1,2-a]pyridinShow More⌵

Mol. Formula:
C20H19N7O

M.W.:
373.42

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA583438

Name:
1-ethyl-3-(7-(1-(2-methoxyethyl)-2-oxo-1,2-dihydropyridin-4-yl)-5-(5-methylShow More⌵

Mol. Formula:
C23H25N7O3

M.W.:
447.50

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
115.44

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA571959

Name:
1-ethyl-3-(5-(5-isopropylpyrimidin-2-yl)-7-(pyridin-3-yl)imidazo[1,2-a]pyriShow More⌵

Mol. Formula:
C22H23N7O

M.W.:
401.47

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA568222

Name:
1-ethyl-3-(5-(5-(methylsulfonyl)pyrimidin-2-yl)-7-(pyridin-3-yl)imidazo[1,2Show More⌵

Mol. Formula:
C20H19N7O3S

M.W.:
437.49

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
131.24

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA578149

Name:
1-ethyl-3-(5-(5-methylpyrimidin-2-yl)-7-(2-oxo-1-propyl-1,2-dihydropyridin-Show More⌵

Mol. Formula:
C23H25N7O2

M.W.:
431.50

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
106.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA577922

Name:
1-Methyl-3-[5-(5-methyl-pyrimidin-2-yl)-7-pyridin-3-yl-imidazo[1,2-a]pyridiShow More⌵

Mol. Formula:
C20H16F3N7O

M.W.:
427.39

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
88.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA578138

Name:
1-(5-(5-methylpyrimidin-2-yl)-7-(pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)-3Show More⌵

Mol. Formula:
C22H23N7O

M.W.:
401.47

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA571734

Name:
1-Cyclopropyl-3-[5-(5-methyl-pyrimidin-2-yl)-7-pyridin-3-yl-imidazo[1,2-a]pShow More⌵

Mol. Formula:
C21H19N7O

M.W.:
385.43

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
97.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA565750

Name:
1-ethyl-3-(7-(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)-5-(5-methylpyrimidin-2Show More⌵

Mol. Formula:
C22H23N7O2

M.W.:
417.47

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
106.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA565741

Name:
N-[5-(5-Methyl-pyrimidin-2-yl)-7-pyridin-3-yl-imidazo[1,2-a]pyridin-2-yl]-pShow More⌵

Mol. Formula:
C20H18N6O

M.W.:
358.41