6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine

C21H16ClN3 — CID 123593025

IUPAC6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine
SMILESC=Cc1ccc(-c2ncccc2-c2ccc3ncc(C)n3c2)cc1Cl
InChIInChI=1S/C21H16ClN3/c1-3-15-6-7-16(11-19(15)22)21-18(5-4-10-23-21)17-8-9-20-24-12-14(2)25(20)13-17/h3-13H,1H2,2H3
InChIKeyIDZUYQOPZNNQBT-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.67
Rot. Bonds3

About 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine

6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 123593025) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine
PubChem CID123593025
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine
SMILESC=Cc1ccc(-c2ncccc2-c2ccc3ncc(C)n3c2)cc1Cl
InChIInChI=1S/C21H16ClN3/c1-3-15-6-7-16(11-19(15)22)21-18(5-4-10-23-21)17-8-9-20-24-12-14(2)25(20)13-17/h3-13H,1H2,2H3
InChIKeyIDZUYQOPZNNQBT-UHFFFAOYSA-N
XLogP5.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(S)-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]-N,N-dimethylmethanimidamide
CID 147245236
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 86715530
(E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol
CID 139495090
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;6-[2-(3-chloro-5-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(2,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 161210038
6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 90095249
4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine
CID 90095751
3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 140738834
1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 90095601
5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine
CID 175789538
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]methanediol
CID 138474219
3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134546542

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine (CID 123593025) is 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine is C=Cc1ccc(-c2ncccc2-c2ccc3ncc(C)n3c2)cc1Cl.
What is the InChIKey of 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is IDZUYQOPZNNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-3-15-6-7-16(11-19(15)22)21-18(5-4-10-23-21)17-8-9-20-24-12-14(2)25(20)13-17/h3-13H,1H2,2H3.
What are the key properties of 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine?
6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine has a molecular weight of 345.83 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-ethenylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 123593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).