Compounds

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
83.82

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4514307

Name:
N-(1-methylcyclopropyl)-2-(2H-1,2,3,4-tetrazol-5-y
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Mol. Formula:
C12H12N8

M.W.:
268.28

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
105.16

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4513243

Name:
2-(3-chloropyridin-4-yl)-N-(1,1,1-trifluoro-2-meth
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Mol. Formula:
C16H13ClF3N5

M.W.:
367.76

11 activity values

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
63.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4483764

Name:
N-(1-methylcyclobutyl)-2-(pyrimidin-4-yl)-1,7-naph
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Mol. Formula:
C17H17N5

M.W.:
291.36

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
63.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4483670

Name:
N-(oxetan-3-yl)-2-(pyridin-4-yl)-1,7-naphthyridin-
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Mol. Formula:
C16H14N4O

M.W.:
278.32

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4483614

Name:
2-(1H-imidazol-5-yl)-N-(1-methylcyclopropyl)pyrido
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Mol. Formula:
C14H14N6

M.W.:
266.31

Type:
Unknown

AlogP:
2.38

Polar Surface Area:
79.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4483329

Name:
2-(5-methyl-1H-pyrazol-4-yl)-N-[(1R)-1-phenylethyl
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Mol. Formula:
C19H18N6

M.W.:
330.40

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
79.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4476521

Name:
(S)-2-(pyridin-4-yl)-4-(3-(trifluoromethyl)piperaz
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Mol. Formula:
C17H15F3N6

M.W.:
360.34

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
66.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4476463

Name:
N1,N1,3-trimethyl-N3-(2-(3-(trifluoromethyl)-1H-py
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Mol. Formula:
C18H22F3N7

M.W.:
393.42

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
82.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4476350

Name:
N-(1-amino-2-methylpropan-2-yl)-2-(1H-pyrazol-4-yl
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Mol. Formula:
C14H17N7

M.W.:
283.34

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
105.40

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4476180

Name:
N-methyl-2-(pyridin-4-yl)-N-[(2R)-1,1,1-trifiuorop
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Mol. Formula:
C16H14F3N5

M.W.:
333.32

7 activity values

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
54.80

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4475979

Name:
4-{[2-(3-chloropyridin-4-yl)pyrido[3,4-d]pyrimidin
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Mol. Formula:
C19H22ClN5O

M.W.:
371.87

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
83.82

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4475654

Name:
N,N-diethyl-2-(3-fluoropyridin-4-yl)-1,7-naphthyri
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Mol. Formula:
C17H17FN4

M.W.:
296.35

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
41.91

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4475201

Name:
N-[2-methyl-1-(propan-2-yloxy)propan-2-yl]-2-(pyri
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Mol. Formula:
C20H24N4O

M.W.:
336.44

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4474308

Name:
2-(3-chloropyridin-4-yl)-N-cyclopentylpyrido[3,4-d
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Mol. Formula:
C17H16ClN5

M.W.:
325.80

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
63.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4539019

Name:
N,N,2-trimethyl-2-((2-(pyridin-4-yl)pyrido[3,4-d]p
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Mol. Formula:
C18H20N6O

M.W.:
336.40

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
83.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4538846

Name:
2-(3-chloropyridin-4-yl)-N-(1-methoxy-2-methylprop
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Mol. Formula:
C17H18ClN5O

M.W.:
343.82

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
72.82

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4538809

Name:
N-[(2S)-butan-2-yl]-2-(pyridin-4-yl)-1,7-naphthyri
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Mol. Formula:
C17H18N4

M.W.:
278.36

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4537258

Name:
N-[1-(tert-butoxy)-2-methylpropan-2-yl]-2-(pyridin
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Mol. Formula:
C20H25N5O

M.W.:
351.45

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
72.82

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4525661

Name:
2-(3-chloropyridin-4-yl)-N-propylpyrido[3,4-d]pyri
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Mol. Formula:
C15H14ClN5

M.W.:
299.77