N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C113H123Cl8N27O10S2 — CID 157103417

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 157103417) has the molecular formula C113H123Cl8N27O10S2 and a molecular weight of 2367.16 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• PubChem CID: 157103417
• Molecular Formula: C113H123Cl8N27O10S2
• Molecular Weight: 2367.16 g/mol
• Exact Mass: 2361.69
• IUPAC Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1.CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.CCCS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCn3ncnc3C2)c(Cl)c1.O=C(CO)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1
• InChI: InChI=1S/C24H27Cl2N5O2.C23H26ClN5O3S.C23H28ClN5O3S.C22H23Cl2N5O2.C21H19Cl2N7/c1-24(2,33)23(32)30-9-7-29(8-10-30)14-20-22(17-6-5-16(25)11-18(17)26)28-21-12-27-19(13-31(20)21)15-3-4-15;1-17(30)27-12-10-26(11-13-27)16-21-23(18-3-5-19(24)6-4-18)25-22-8-7-20(15-28(21)22)29-9-2-14-33(29,31)32;1-3-14-33(31,32)26-20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(29(22)15-20)16-27-10-12-28(13-11-27)17(2)30;23-15-3-4-16(17(24)9-15)22-19(12-27-5-7-28(8-6-27)21(31)13-30)29-11-18(14-1-2-14)25-10-20(29)26-22;22-14-3-4-15(16(23)7-14)21-18(10-28-5-6-30-20(11-28)25-12-26-30)29-9-17(13-1-2-13)24-8-19(29)27-21/h5-6,11-13,15,33H,3-4,7-10,14H2,1-2H3;3-8,15H,2,9-14,16H2,1H3;4-9,15,26H,3,10-14,16H2,1-2H3;3-4,9-11,14,30H,1-2,5-8,12-13H2;3-4,7-9,12-13H,1-2,5-6,10-11H2
• InChIKey: AGAJMAINOXCPDI-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 377.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2367.16
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 157103417) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1.CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.CCCS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1.Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCn3ncnc3C2)c(Cl)c1.O=C(CO)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.

What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The InChIKey is AGAJMAINOXCPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2.C23H26ClN5O3S.C23H28ClN5O3S.C22H23Cl2N5O2.C21H19Cl2N7/c1-24(2,33)23(32)30-9-7-29(8-10-30)14-20-22(17-6-5-16(25)11-18(17)26)28-21-12-27-19(13-31(20)21)15-3-4-15;1-17(30)27-12-10-26(11-13-27)16-21-23(18-3-5-19(24)6-4-18)25-22-8-7-20(15-28(21)22)29-9-2-14-33(29,31)32;1-3-14-33(31,32)26-20-8-9-22-25-23(18-4-6-19(24)7-5-18)21(29(22)15-20)16-27-10-12-28(13-11-27)17(2)30;23-15-3-4-16(17(24)9-15)22-19(12-27-5-7-28(8-6-27)21(31)13-30)29-11-18(14-1-2-14)25-10-20(29)26-22;22-14-3-4-15(16(23)7-14)21-18(10-28-5-6-30-20(11-28)25-12-26-30)29-9-17(13-1-2-13)24-8-19(29)27-21/h5-6,11-13,15,33H,3-4,7-10,14H2,1-2H3;3-8,15H,2,9-14,16H2,1H3;4-9,15,26H,3,10-14,16H2,1-2H3;3-4,9-11,14,30H,1-2,5-8,12-13H2;3-4,7-9,12-13H,1-2,5-6,10-11H2.

What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 2367.16 g/mol, XLogP of 17.73, 25 rotatable bonds, 3 hydrogen bond donors, and 31 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]pyridin-6-yl]propane-1-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;7-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 157103417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).