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CAS 1134327-96-0 IMidazo[1,2-a]pyridine-3-carbonitrile, 6-fluoro- molecular structure lightbox
CAS RN: 1134327-96-0

IMidazo[1,2-a]pyridine-3-carbonitrile, 6-fluoro-

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  • Product code: starshine_CAS1134327-96-0
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1134327-96-0 / 6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile

6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile | 6-Fluoroimidazo(1,2-a)pyridine-3-carbonitrile | RefChem:308434

Standard CAS: 1134327-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134327-96-0
Multi CAS
No
Molecular Formula
C8H4FN3
Molecular Weight
161.140000
Exact Mass
161.038925
SMILES
C1=CC2=NC=C(N2C=C1F)C#N
InChI
InChI=1S/C8H4FN3/c9-6-1-2-8-11-4-7(3-10)12(8)5-6/h1-2,4-5H
InChIKey
HTYMSLNVCBNCSJ-UHFFFAOYSA-N
Synonyms
6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile 6-Fluoroimidazo(1,2-a)pyridine-3-carbonitrile RefChem:308434 6-Fluoro-imidazo[1,2-a]pyridine-3-carbonitrile IMidazo[1,2-a]pyridine-3-carbonitrile, 6-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
39.87
TPSA
41.09

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.9
Consensus LogP
1.48
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-2.75

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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