CAS RN: 518064-47-6

Imidazo[1,2-a]pyridine-2-methanamine, 8-methyl- (9CI)

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  • Product code: starshine_CAS518064-47-6
  • Purity/Analytical Methods: >99.0%
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518064-47-6 / (8-methylimidazo[1,2-a]pyridin-2-yl)methanamine

Standard CAS: 518064-47-6 Multi CAS: Yes

Basic Information

CAS
518064-47-6
Multi CAS
Yes
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
InChI
InChI=1S/C9H11N3/c1-7-3-2-4-12-6-8(5-10)11-9(7)12/h2-4,6H,5,10H2,1H3
InChIKey
BZCVHNHCTCEWTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.82
TPSA
43.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.92

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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