1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one

C17H11ClN2O2 — CID 11232161

IUPAC1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one
SMILESC#CC(=O)c1c(-c2cccc(OC)c2)nc2c(Cl)cccn12
InChIInChI=1S/C17H11ClN2O2/c1-3-14(21)16-15(11-6-4-7-12(10-11)22-2)19-17-13(18)8-5-9-20(16)17/h1,4-10H,2H3
InChIKeyFCVAIGOUJICJIM-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.48
Rot. Bonds3

About 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one

1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one (PubChem CID 11232161) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one.

Molecular Properties

Compound Name1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one
PubChem CID11232161
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one
SMILESC#CC(=O)c1c(-c2cccc(OC)c2)nc2c(Cl)cccn12
InChIInChI=1S/C17H11ClN2O2/c1-3-14(21)16-15(11-6-4-7-12(10-11)22-2)19-17-13(18)8-5-9-20(16)17/h1,4-10H,2H3
InChIKeyFCVAIGOUJICJIM-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-(4-methylphenyl)methanone
CID 122205518
[8-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82529532
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
8-fluoro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82529209
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-chloro-3-(3-methoxyphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 67201173
8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90479944
8-chloro-3-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridine
CID 103095082
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82342890
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one?
The IUPAC name of 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one (CID 11232161) is 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one.
What is the SMILES notation for 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one?
The canonical SMILES for 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one is C#CC(=O)c1c(-c2cccc(OC)c2)nc2c(Cl)cccn12.
What is the InChIKey of 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one?
The InChIKey is FCVAIGOUJICJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c1-3-14(21)16-15(11-6-4-7-12(10-11)22-2)19-17-13(18)8-5-9-20(16)17/h1,4-10H,2H3.
What are the key properties of 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one?
1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one has a molecular weight of 310.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one is sourced from PubChem (CID 11232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).