CAS RN: 75007-92-0

3H-Imidazo[4,5-c]pyridine, 2-phenyl-

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  • Product code: starshine_CAS75007-92-0
  • Purity/Analytical Methods: >99.0%
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75007-92-0 / 2-phenyl-3H-imidazo[4,5-c]pyridine

Standard CAS: 75007-92-0 Multi CAS: No

Basic Information

CAS
75007-92-0
Multi CAS
No
Molecular Formula
C12H9N3
Molecular Weight
195.220000
Exact Mass
195.079647
InChI
InChI=1S/C12H9N3/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-8H,(H,14,15)
InChIKey
HXHORNUQSDXBNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.32
TPSA
41.57

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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