1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

C23H27ClN4O3S — CID 121309920

IUPAC1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)C(C)C)cn23)CC1
InChIInChI=1S/C23H27ClN4O3S/c1-16(2)32(30,31)20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(28(22)14-20)15-26-10-12-27(13-11-26)17(3)29/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyIGYBKFSRFDAESW-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 121309920) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID121309920
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)C(C)C)cn23)CC1
InChIInChI=1S/C23H27ClN4O3S/c1-16(2)32(30,31)20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(28(22)14-20)15-26-10-12-27(13-11-26)17(3)29/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyIGYBKFSRFDAESW-UHFFFAOYSA-N
XLogP3.50
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 121309920) is 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)C(C)C)cn23)CC1.
What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is IGYBKFSRFDAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-16(2)32(30,31)20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(28(22)14-20)15-26-10-12-27(13-11-26)17(3)29/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 475.01 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121309920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).