CAS RN: 452967-56-5

Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride

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  • Purity/Analytical Methods: >99.0%
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452967-56-5 / imidazo[1,2-a]pyridin-2-ylmethanamine;dihydrochloride

Standard CAS: 452967-56-5 Multi CAS: Yes

Basic Information

CAS
452967-56-5
Multi CAS
Yes
Molecular Formula
C8H11CL2N3
Molecular Weight
220.100000
Exact Mass
219.033003
InChI
InChI=1S/C8H9N3.2ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;;/h1-4,6H,5,9H2;2*1H
InChIKey
MYPGNWBLNHLGBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.58
TPSA
43.32

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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