CAS RN: 175143-91-6

IMidazo[1,2-a]pyridine-5-acetic acid

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  • Product code: starshine_CAS175143-91-6
  • Purity/Analytical Methods: >99.0%
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175143-91-6 / 2-imidazo[1,2-a]pyridin-5-ylacetic acid

Standard CAS: 175143-91-6 Multi CAS: No

Basic Information

CAS
175143-91-6
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
C1=CC2=NC=CN2C(=C1)CC(=O)O
InChI
InChI=1S/C9H8N2O2/c12-9(13)6-7-2-1-3-8-10-4-5-11(7)8/h1-5H,6H2,(H,12,13)
InChIKey
ZIIHHHLFEMQMOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.53
TPSA
54.6

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
1.3
Consensus LogP
1.03
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.11

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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