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

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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).