N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

C119H121Cl6N27O10S2 — CID 159097131

About N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 159097131) has the molecular formula C119H121Cl6N27O10S2 and a molecular weight of 2366.31 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

• Compound Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
• PubChem CID: 159097131
• Molecular Formula: C119H121Cl6N27O10S2
• Molecular Weight: 2366.31 g/mol
• Exact Mass: 2361.74
• IUPAC Name: N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CC1.CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1.O=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1
• InChI: InChI=1S/C25H23Cl2N7O.C25H24ClN5O.C24H28ClN5O4S.C23H20ClN5O.C22H26ClN5O3S/c26-18-3-4-19(20(27)11-18)24-22(34-14-21(16-1-2-16)28-13-23(34)31-24)15-32-7-9-33(10-8-32)25(35)17-5-6-29-30-12-17;1-18(32)30-14-12-29(13-15-30)17-23-25(19-5-8-21(26)9-6-19)28-24-10-7-20(16-31(23)24)22-4-2-3-11-27-22;1-34-17-23(31)28-12-10-27(11-13-28)16-21-24(18-3-5-19(25)6-4-18)26-22-8-7-20(15-29(21)22)30-9-2-14-35(30,32)33;24-18-7-4-16(5-8-18)23-20(14-28-12-11-26-22(30)15-28)29-13-17(6-9-21(29)27-23)19-3-1-2-10-25-19;1-16(29)27-12-10-26(11-13-27)15-20-22(17-4-6-18(23)7-5-17)24-21-9-8-19(14-28(20)21)25(2)32(3,30)31/h3-6,11-14,16H,1-2,7-10,15H2;2-11,16H,12-15,17H2,1H3;3-8,15H,2,9-14,16-17H2,1H3;1-10,13H,11-12,14-15H2,(H,26,30);4-9,14H,10-13,15H2,1-3H3
• InChIKey: KCURBBGSOMOICP-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 361.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.31
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

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]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (CID 159097131) is N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.

What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CC1.CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N(C)S(C)(=O)=O)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1.O=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1.

What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

The InChIKey is KCURBBGSOMOICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N7O.C25H24ClN5O.C24H28ClN5O4S.C23H20ClN5O.C22H26ClN5O3S/c26-18-3-4-19(20(27)11-18)24-22(34-14-21(16-1-2-16)28-13-23(34)31-24)15-32-7-9-33(10-8-32)25(35)17-5-6-29-30-12-17;1-18(32)30-14-12-29(13-15-30)17-23-25(19-5-8-21(26)9-6-19)28-24-10-7-20(16-31(23)24)22-4-2-3-11-27-22;1-34-17-23(31)28-12-10-27(11-13-28)16-21-24(18-3-5-19(25)6-4-18)26-22-8-7-20(15-29(21)22)30-9-2-14-35(30,32)33;24-18-7-4-16(5-8-18)23-20(14-28-12-11-26-22(30)15-28)29-13-17(6-9-21(29)27-23)19-3-1-2-10-25-19;1-16(29)27-12-10-26(11-13-27)15-20-22(17-4-6-18(23)7-5-17)24-21-9-8-19(14-28(20)21)25(2)32(3,30)31/h3-6,11-14,16H,1-2,7-10,15H2;2-11,16H,12-15,17H2,1H3;3-8,15H,2,9-14,16-17H2,1H3;1-10,13H,11-12,14-15H2,(H,26,30);4-9,14H,10-13,15H2,1-3H3.

What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?

N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 2366.31 g/mol, XLogP of 17.56, 24 rotatable bonds, 1 hydrogen bond donors, and 30 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]-N-methylmethanesulfonamide;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]-2-methoxyethanone;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;1-[4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 159097131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).