1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

C91H102Cl7N19O12S4 — CID 158831778

About 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (PubChem CID 158831778) has the molecular formula C91H102Cl7N19O12S4 and a molecular weight of 2030.38 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
• PubChem CID: 158831778
• Molecular Formula: C91H102Cl7N19O12S4
• Molecular Weight: 2030.38 g/mol
• Exact Mass: 2025.47
• IUPAC Name: 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
• SMILES: CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)CO)CC3)n2c1)S(C)(=O)=O.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN4C(=O)CCC4C3)n2c1)S(C)(=O)=O.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4CCOCC4)CC3)n2c1.CSc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1
• InChI: InChI=1S/C25H29Cl2N5O4S.C23H25Cl2N5O3S.C22H25Cl2N5O4S.C21H23ClN4OS/c1-37(34,35)29-19-3-5-23-28-24(20-4-2-18(26)14-21(20)27)22(32(23)15-19)16-30-8-10-31(11-9-30)25(33)17-6-12-36-13-7-17;1-27(34(2,32)33)16-4-7-21-26-23(18-6-3-15(24)11-19(18)25)20(30(21)13-16)14-28-9-10-29-17(12-28)5-8-22(29)31;1-26(34(2,32)33)16-4-6-20-25-22(17-5-3-15(23)11-18(17)24)19(29(20)12-16)13-27-7-9-28(10-8-27)21(31)14-30;1-15(27)25-11-9-24(10-12-25)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(28-2)13-26(19)20/h2-5,14-15,17,29H,6-13,16H2,1H3;3-4,6-7,11,13,17H,5,8-10,12,14H2,1-2H3;3-6,11-12,30H,7-10,13-14H2,1-2H3;3-8,13H,9-12,14H2,1-2H3
• InChIKey: IXDAXHVZXHNLBF-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 313.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2030.38
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (CID 158831778) is 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)CO)CC3)n2c1)S(C)(=O)=O.CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN4C(=O)CCC4C3)n2c1)S(C)(=O)=O.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C4CCOCC4)CC3)n2c1.CSc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.

What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The InChIKey is IXDAXHVZXHNLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N5O4S.C23H25Cl2N5O3S.C22H25Cl2N5O4S.C21H23ClN4OS/c1-37(34,35)29-19-3-5-23-28-24(20-4-2-18(26)14-21(20)27)22(32(23)15-19)16-30-8-10-31(11-9-30)25(33)17-6-12-36-13-7-17;1-27(34(2,32)33)16-4-7-21-26-23(18-6-3-15(24)11-19(18)25)20(30(21)13-16)14-28-9-10-29-17(12-28)5-8-22(29)31;1-26(34(2,32)33)16-4-6-20-25-22(17-5-3-15(23)11-18(17)24)19(29(20)12-16)13-27-7-9-28(10-8-27)21(31)14-30;1-15(27)25-11-9-24(10-12-25)14-19-21(16-3-5-17(22)6-4-16)23-20-8-7-18(28-2)13-26(19)20/h2-5,14-15,17,29H,6-13,16H2,1H3;3-4,6-7,11,13,17H,5,8-10,12,14H2,1-2H3;3-6,11-12,30H,7-10,13-14H2,1-2H3;3-8,13H,9-12,14H2,1-2H3.

What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide has a molecular weight of 2030.38 g/mol, XLogP of 13.64, 21 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(4-chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[[4-(oxane-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;N-[2-(2,4-dichlorophenyl)-3-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 158831778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).