1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one

C23H20N2O5S2 — CID 159340424

IUPAC1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)cc1
InChIInChI=1S/C23H20N2O5S2/c1-31(27,28)19-8-10-21(11-9-19)32(29,30)20-6-2-17(3-7-20)4-12-22(26)18-5-13-23-24-14-15-25(23)16-18/h2-3,5-11,13-16H,4,12H2,1H3
InChIKeyLGBMPGSWHAGFGH-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.39
Rot. Bonds7

About 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one

1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one (PubChem CID 159340424) has the molecular formula C23H20N2O5S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
PubChem CID159340424
Molecular FormulaC23H20N2O5S2
Molecular Weight468.56 g/mol
Exact Mass468.08
IUPAC Name1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)cc1
InChIInChI=1S/C23H20N2O5S2/c1-31(27,28)19-8-10-21(11-9-19)32(29,30)20-6-2-17(3-7-20)4-12-22(26)18-5-13-23-24-14-15-25(23)16-18/h2-3,5-11,13-16H,4,12H2,1H3
InChIKeyLGBMPGSWHAGFGH-UHFFFAOYSA-N
XLogP3.39
TPSA102.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 149055168
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
1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 165102895
3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 158469086
3-[4-(3-fluoro-5-morpholin-4-ylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 159757216
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-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
CID 159019243
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 159742257

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one (CID 159340424) is 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one is CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CCC(=O)c3ccc4nccn4c3)cc2)cc1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one?
The InChIKey is LGBMPGSWHAGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S2/c1-31(27,28)19-8-10-21(11-9-19)32(29,30)20-6-2-17(3-7-20)4-12-22(26)18-5-13-23-24-14-15-25(23)16-18/h2-3,5-11,13-16H,4,12H2,1H3.
What are the key properties of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one?
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one has a molecular weight of 468.56 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one is sourced from PubChem (CID 159340424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).