3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one

C24H22N2O3S — CID 160997514

IUPAC3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESCCc1cccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)c1
InChIInChI=1S/C24H22N2O3S/c1-2-18-4-3-5-22(16-18)30(28,29)21-10-6-19(7-11-21)8-12-23(27)20-9-13-24-25-14-15-26(24)17-20/h3-7,9-11,13-17H,2,8,12H2,1H3
InChIKeyTVLDDYZCKYMRTG-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.55
Rot. Bonds7

About 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one

3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (PubChem CID 160997514) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
PubChem CID160997514
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESCCc1cccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)c1
InChIInChI=1S/C24H22N2O3S/c1-2-18-4-3-5-22(16-18)30(28,29)21-10-6-19(7-11-21)8-12-23(27)20-9-13-24-25-14-15-26(24)17-20/h3-7,9-11,13-17H,2,8,12H2,1H3
InChIKeyTVLDDYZCKYMRTG-UHFFFAOYSA-N
XLogP4.55
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Gne-617
CID 68277611
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}imidazo[1,2-A]pyridine-7-Carboxamide
CID 66611965
Aminoimidazo[1,2-a]pyridine deriv. 2a
CID 5330600
N-(4-(phenylsulfonyl)benzyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 66610605
N-(4-(piperidin-1-ylsulfonyl)benzyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 66614375
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 68277270
Aminoimidazo[1,2-a]pyridine deriv. 2b
CID 5330601
[1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazol-2-yl]-phenyl-methanone
CID 11058879
N-(4-(Phenylsulfonyl)butyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 76311094
6-(3-Methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 122193256
1-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-[(4-methylphenyl)sulfanyl]-1-ethanone
CID 1472561
1-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-[(4-methylphenyl)sulfanyl]-1-ethanone
CID 4323914

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The IUPAC name of 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (CID 160997514) is 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.
What is the SMILES notation for 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The canonical SMILES for 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is CCc1cccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)c1.
What is the InChIKey of 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The InChIKey is TVLDDYZCKYMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-18-4-3-5-22(16-18)30(28,29)21-10-6-19(7-11-21)8-12-23(27)20-9-13-24-25-14-15-26(24)17-20/h3-7,9-11,13-17H,2,8,12H2,1H3.
What are the key properties of 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one has a molecular weight of 418.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is sourced from PubChem (CID 160997514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).