1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone

C15H13ClN2O2S — CID 122412883

IUPAC1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2c(OCc3ccc(Cl)s3)cccn12
InChIInChI=1S/C15H13ClN2O2S/c1-9-14(10(2)19)18-7-3-4-12(15(18)17-9)20-8-11-5-6-13(16)21-11/h3-7H,8H2,1-2H3
InChIKeyIOAQKMVXVIMXBC-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.14
Rot. Bonds4

About 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone

1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 122412883) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID122412883
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2c(OCc3ccc(Cl)s3)cccn12
InChIInChI=1S/C15H13ClN2O2S/c1-9-14(10(2)19)18-7-3-4-12(15(18)17-9)20-8-11-5-6-13(16)21-11/h3-7H,8H2,1-2H3
InChIKeyIOAQKMVXVIMXBC-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156847
8-[(2-chlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115835
methyl (2S)-1-[3-[(3-acetyl-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]sulfonylpyrrolidine-2-carboxylate
CID 70172323
8-[(2,3-dichlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115122
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983
8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321207
(3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride
CID 162214206
8-[(4-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-ol
CID 70511845
N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone (CID 122412883) is 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)c1c(C)nc2c(OCc3ccc(Cl)s3)cccn12.
What is the InChIKey of 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is IOAQKMVXVIMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-9-14(10(2)19)18-7-3-4-12(15(18)17-9)20-8-11-5-6-13(16)21-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone?
1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 320.80 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 122412883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).