CAS RN: 7322-04-5

3-Methyl-3H-imidazo[4,5-c]pyridine

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  • Product code: starshine_CAS7322-04-5
  • Purity/Analytical Methods: >99.0%
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7322-04-5 / 3-methylimidazo[4,5-c]pyridine

Standard CAS: 7322-04-5 Multi CAS: No

Basic Information

CAS
7322-04-5
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
InChI
InChI=1S/C7H7N3/c1-10-5-9-6-2-3-8-4-7(6)10/h2-5H,1H3
InChIKey
GKVVKWNIYISLDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
38.51
TPSA
30.71

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.4
Consensus LogP
0.74
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

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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