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

C24H22N2O4S — CID 149055168

IUPAC3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-2-30-20-7-11-22(12-8-20)31(28,29)21-9-3-18(4-10-21)5-13-23(27)19-6-14-24-25-15-16-26(24)17-19/h3-4,6-12,14-17H,2,5,13H2,1H3
InChIKeyQKPCJEWGCHLZPI-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.38
Rot. Bonds8

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

3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (PubChem CID 149055168) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
PubChem CID149055168
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-2-30-20-7-11-22(12-8-20)31(28,29)21-9-3-18(4-10-21)5-13-23(27)19-6-14-24-25-15-16-26(24)17-19/h3-4,6-12,14-17H,2,5,13H2,1H3
InChIKeyQKPCJEWGCHLZPI-UHFFFAOYSA-N
XLogP4.38
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
CID 159340424
3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 160997514
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(2-methoxyphenyl)sulfonylphenyl]propan-1-one
CID 162079652
3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 158469086
1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 165102895
3-[4-(3-fluoro-5-morpholin-4-ylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 159757216
4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
CID 110734809
1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one
CID 161477480
3-[4-[4-[2-(dimethylamino)ethyl]phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157319178
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one
CID 157328443
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
CID 159019243
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (CID 149055168) is 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is CCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The InChIKey is QKPCJEWGCHLZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-2-30-20-7-11-22(12-8-20)31(28,29)21-9-3-18(4-10-21)5-13-23(27)19-6-14-24-25-15-16-26(24)17-19/h3-4,6-12,14-17H,2,5,13H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one has a molecular weight of 434.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is sourced from PubChem (CID 149055168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).