N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

C107H114Cl9N29O13S4 — CID 159837097

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (PubChem CID 159837097) has the molecular formula C107H114Cl9N29O13S4 and a molecular weight of 2461.62 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
• PubChem CID: 159837097
• Molecular Formula: C107H114Cl9N29O13S4
• Molecular Weight: 2461.62 g/mol
• Exact Mass: 2455.52
• IUPAC Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(NS(C)(=O)=O)cn23)CC1.CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.CS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.Clc1ccc(-c2nc3ccc(-c4ncon4)cn3c2CN2CCn3ncnc3C2)c(Cl)c1
• InChI: InChI=1S/C23H27Cl2N5O4S.C22H25Cl2N5O3S.C21H16Cl2N8O.C21H23Cl2N5O2S.C20H23ClN6O3S/c1-27(35(3,32)33)17-5-7-21-26-23(18-6-4-16(24)12-19(18)25)20(30(21)13-17)14-28-8-10-29(11-9-28)22(31)15-34-2;1-15(30)28-10-8-27(9-11-28)14-20-22(18-6-4-16(23)12-19(18)24)25-21-7-5-17(13-29(20)21)26(2)33(3,31)32;22-14-2-3-15(16(23)7-14)20-17(9-29-5-6-31-19(10-29)24-11-26-31)30-8-13(1-4-18(30)27-20)21-25-12-32-28-21;1-31(29,30)27-8-6-26(7-9-27)13-19-21(16-5-4-15(22)10-17(16)23)25-20-11-24-18(12-28(19)20)14-2-3-14;1-14(28)26-9-7-25(8-10-26)12-17-20(15-3-5-16(21)6-4-15)23-19-11-22-18(13-27(17)19)24-31(2,29)30/h4-7,12-13H,8-11,14-15H2,1-3H3;4-7,12-13H,8-11,14H2,1-3H3;1-4,7-8,11-12H,5-6,9-10H2;4-5,10-12,14H,2-3,6-9,13H2,1H3;3-6,11,13,24H,7-10,12H2,1-2H3
• InChIKey: NOFJWSTYIVGWGU-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 426.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2461.62
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide (CID 159837097) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(NS(C)(=O)=O)cn23)CC1.CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.CS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.Clc1ccc(-c2nc3ccc(-c4ncon4)cn3c2CN2CCn3ncnc3C2)c(Cl)c1.

What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

The InChIKey is NOFJWSTYIVGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O4S.C22H25Cl2N5O3S.C21H16Cl2N8O.C21H23Cl2N5O2S.C20H23ClN6O3S/c1-27(35(3,32)33)17-5-7-21-26-23(18-6-4-16(24)12-19(18)25)20(30(21)13-17)14-28-8-10-29(11-9-28)22(31)15-34-2;1-15(30)28-10-8-27(9-11-28)14-20-22(18-6-4-16(23)12-19(18)24)25-21-7-5-17(13-29(20)21)26(2)33(3,31)32;22-14-2-3-15(16(23)7-14)20-17(9-29-5-6-31-19(10-29)24-11-26-31)30-8-13(1-4-18(30)27-20)21-25-12-32-28-21;1-31(29,30)27-8-6-26(7-9-27)13-19-21(16-5-4-15(22)10-17(16)23)25-20-11-24-18(12-28(19)20)14-2-3-14;1-14(28)26-9-7-25(8-10-26)12-17-20(15-3-5-16(21)6-4-15)23-19-11-22-18(13-27(17)19)24-31(2,29)30/h4-7,12-13H,8-11,14-15H2,1-3H3;4-7,12-13H,8-11,14H2,1-3H3;1-4,7-8,11-12H,5-6,9-10H2;4-5,10-12,14H,2-3,6-9,13H2,1H3;3-6,11,13,24H,7-10,12H2,1-2H3.

What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide?

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide has a molecular weight of 2461.62 g/mol, XLogP of 16.07, 26 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]methanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;6-cyclopropyl-2-(2,4-dichlorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazine;3-[2-(2,4-dichlorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazole;N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 159837097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).