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

C17H15N3O2 — CID 39127548

IUPAC2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3ccccn3c2CC#N)cc1OC
InChIInChI=1S/C17H15N3O2/c1-21-14-7-6-12(11-15(14)22-2)17-13(8-9-18)20-10-4-3-5-16(20)19-17/h3-7,10-11H,8H2,1-2H3
InChIKeyQNDRACSSEKMBSV-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.08
Rot. Bonds4

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

2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 39127548) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID39127548
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3ccccn3c2CC#N)cc1OC
InChIInChI=1S/C17H15N3O2/c1-21-14-7-6-12(11-15(14)22-2)17-13(8-9-18)20-10-4-3-5-16(20)19-17/h3-7,10-11H,8H2,1-2H3
InChIKeyQNDRACSSEKMBSV-UHFFFAOYSA-N
XLogP3.08
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199536
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 39133106
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118564
[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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 39127548) is 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1ccc(-c2nc3ccccn3c2CC#N)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is QNDRACSSEKMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-21-14-7-6-12(11-15(14)22-2)17-13(8-9-18)20-10-4-3-5-16(20)19-17/h3-7,10-11H,8H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 293.33 g/mol, XLogP of 3.08, 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)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 39127548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).