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

C69H82Cl2N14O9S3 — CID 157138438

IUPAC3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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(C)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C24H28ClN5O3S.C23H28N4O3S.C22H26ClN5O3S/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;1-4-31(29,30)20-9-10-22-24-23(19-7-5-17(2)6-8-19)21(27(22)15-20)16-25-11-13-26(14-12-25)18(3)28;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/h4-9,16H,2-3,10-15,17H2,1H3;5-10,15H,4,11-14,16H2,1-3H3;4-9,14,24H,3,10-13,15H2,1-2H3
InChIKeyAJXDXQJWOOOKPL-UHFFFAOYSA-N
MW1418.61 g/mol
LogP8.49
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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 157138438) has the molecular formula C69H82Cl2N14O9S3 and a molecular weight of 1418.61 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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID157138438
Molecular FormulaC69H82Cl2N14O9S3
Molecular Weight1418.61 g/mol
Exact Mass1416.49
IUPAC Name3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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(C)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
InChIInChI=1S/C24H28ClN5O3S.C23H28N4O3S.C22H26ClN5O3S/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;1-4-31(29,30)20-9-10-22-24-23(19-7-5-17(2)6-8-19)21(27(22)15-20)16-25-11-13-26(14-12-25)18(3)28;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/h4-9,16H,2-3,10-15,17H2,1H3;5-10,15H,4,11-14,16H2,1-3H3;4-9,14,24H,3,10-13,15H2,1-2H3
InChIKeyAJXDXQJWOOOKPL-UHFFFAOYSA-N
XLogP8.49
TPSA240.24 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.61
LogP ≤ 58.49
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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 157138438) is 3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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(C)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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is AJXDXQJWOOOKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3S.C23H28N4O3S.C22H26ClN5O3S/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;1-4-31(29,30)20-9-10-22-24-23(19-7-5-17(2)6-8-19)21(27(22)15-20)16-25-11-13-26(14-12-25)18(3)28;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/h4-9,16H,2-3,10-15,17H2,1H3;5-10,15H,4,11-14,16H2,1-3H3;4-9,14,24H,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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 1418.61 g/mol, XLogP of 8.49, 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-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157138438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).