3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

C68H79Cl3N14O9S3 — CID 161052622

IUPAC3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)N4CCCC4)cn23)CC1.CCNS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C24H28ClN5O3S.C22H26ClN5O3S.C22H25ClN4O3S/c1-18(31)28-14-12-27(13-15-28)17-22-24(19-4-6-20(25)7-5-19)26-23-9-8-21(16-30(22)23)34(32,33)29-10-2-3-11-29;1-3-24-32(30,31)19-8-9-21-25-22(17-4-6-18(23)7-5-17)20(28(21)14-19)15-26-10-12-27(13-11-26)16(2)29;1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28/h4-9,16H,2-3,10-15,17H2,1H3;4-9,14,24H,3,10-13,15H2,1-2H3;4-9,14H,3,10-13,15H2,1-2H3
InChIKeyUCILSOZJOFHSLG-UHFFFAOYSA-N
MW1439.03 g/mol
LogP8.83
Rot. Bonds16

About 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 161052622) has the molecular formula C68H79Cl3N14O9S3 and a molecular weight of 1439.03 g/mol. Its IUPAC name is 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID161052622
Molecular FormulaC68H79Cl3N14O9S3
Molecular Weight1439.03 g/mol
Exact Mass1436.44
IUPAC Name3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)N4CCCC4)cn23)CC1.CCNS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C24H28ClN5O3S.C22H26ClN5O3S.C22H25ClN4O3S/c1-18(31)28-14-12-27(13-15-28)17-22-24(19-4-6-20(25)7-5-19)26-23-9-8-21(16-30(22)23)34(32,33)29-10-2-3-11-29;1-3-24-32(30,31)19-8-9-21-25-22(17-4-6-18(23)7-5-17)20(28(21)14-19)15-26-10-12-27(13-11-26)16(2)29;1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28/h4-9,16H,2-3,10-15,17H2,1H3;4-9,14,24H,3,10-13,15H2,1-2H3;4-9,14H,3,10-13,15H2,1-2H3
InChIKeyUCILSOZJOFHSLG-UHFFFAOYSA-N
XLogP8.83
TPSA240.24 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.03
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 161052622) is 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)N4CCCC4)cn23)CC1.CCNS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.
What is the InChIKey of 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is UCILSOZJOFHSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3S.C22H26ClN5O3S.C22H25ClN4O3S/c1-18(31)28-14-12-27(13-15-28)17-22-24(19-4-6-20(25)7-5-19)26-23-9-8-21(16-30(22)23)34(32,33)29-10-2-3-11-29;1-3-24-32(30,31)19-8-9-21-25-22(17-4-6-18(23)7-5-17)20(28(21)14-19)15-26-10-12-27(13-11-26)16(2)29;1-3-31(29,30)19-8-9-21-24-22(17-4-6-18(23)7-5-17)20(27(21)14-19)15-25-10-12-26(13-11-25)16(2)28/h4-9,16H,2-3,10-15,17H2,1H3;4-9,14,24H,3,10-13,15H2,1-2H3;4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 1439.03 g/mol, XLogP of 8.83, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 161052622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).