2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

C18H17N3O2 — CID 39127619

IUPAC2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2CC#N)cc1OC
InChIInChI=1S/C18H17N3O2/c1-12-4-7-17-20-18(14(8-9-19)21(17)11-12)13-5-6-15(22-2)16(10-13)23-3/h4-7,10-11H,8H2,1-3H3
InChIKeyRJJBWBTVYGAWIC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.39
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 39127619) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID39127619
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2CC#N)cc1OC
InChIInChI=1S/C18H17N3O2/c1-12-4-7-17-20-18(14(8-9-19)21(17)11-12)13-5-6-15(22-2)16(10-13)23-3/h4-7,10-11H,8H2,1-3H3
InChIKeyRJJBWBTVYGAWIC-UHFFFAOYSA-N
XLogP3.39
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127548
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 39133106
2-(3,4-dimethoxyphenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3573491
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 162650595
[6-chloro-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199396
[2-(3,4-dimethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060633
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 13259035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 39127619) is 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1ccc(-c2nc3ccc(C)cn3c2CC#N)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is RJJBWBTVYGAWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-4-7-17-20-18(14(8-9-19)21(17)11-12)13-5-6-15(22-2)16(10-13)23-3/h4-7,10-11H,8H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 39127619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).