2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

C18H17N3O2 — CID 39133975

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

About 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 39133975) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID39133975
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(OC)c(-c2nc3ccc(C)cn3c2CC#N)c1
InChIInChI=1S/C18H17N3O2/c1-12-4-7-17-20-18(15(8-9-19)21(17)11-12)14-10-13(22-2)5-6-16(14)23-3/h4-7,10-11H,8H2,1-3H3
InChIKeyNCRONWAIYSKGHD-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

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Related Compounds

2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127888
[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125918
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060558
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 13259035
2-[2-(5-chloro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 13259041
2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203563
2-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-6-methylimidazo[1,2-a]pyridine
CID 132572546
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
6-bromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 39133975) is 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1ccc(OC)c(-c2nc3ccc(C)cn3c2CC#N)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is NCRONWAIYSKGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-4-7-17-20-18(15(8-9-19)21(17)11-12)14-10-13(22-2)5-6-16(14)23-3/h4-7,10-11H,8H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(2,5-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-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 39133975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).