1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

C95H95Cl4N21O11S — CID 159198413

About 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 159198413) has the molecular formula C95H95Cl4N21O11S and a molecular weight of 1880.82 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 159198413
• Molecular Formula: C95H95Cl4N21O11S
• Molecular Weight: 1880.82 g/mol
• Exact Mass: 1877.60
• IUPAC Name: 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)C4COC4)CC3)n2c1.O=C(C1COC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1
• InChI: InChI=1S/C25H23ClN4O.C24H23ClN6O3.C23H23ClN6O3.C23H26ClN5O4S/c1-28-13-15-29(16-14-28)25(31)24-23(19-7-10-21(26)11-8-19)27-22-12-9-20(17-30(22)24)18-5-3-2-4-6-18;25-19-4-1-16(2-5-19)22-20(12-29-7-9-30(10-8-29)24(32)18-13-33-14-18)31-11-17(3-6-21(31)27-22)23-26-15-34-28-23;1-32-14-21(31)29-10-8-28(9-11-29)13-19-22(16-2-5-18(24)6-3-16)26-20-7-4-17(12-30(19)20)23-25-15-33-27-23;1-34(31,32)26-19-6-7-21-25-22(16-2-4-18(24)5-3-16)20(29(21)12-19)13-27-8-10-28(11-9-27)23(30)17-14-33-15-17/h2-12,17H,13-16H2,1H3;1-6,11,15,18H,7-10,12-14H2;2-7,12,15H,8-11,13-14H2,1H3;2-7,12,17,26H,8-11,13-15H2,1H3
• InChIKey: KOYRRXUGSTVMGF-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 315.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1880.82
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 159198413) is 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1.CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)C4COC4)CC3)n2c1.O=C(C1COC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1.

What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is KOYRRXUGSTVMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O.C24H23ClN6O3.C23H23ClN6O3.C23H26ClN5O4S/c1-28-13-15-29(16-14-28)25(31)24-23(19-7-10-21(26)11-8-19)27-22-12-9-20(17-30(22)24)18-5-3-2-4-6-18;25-19-4-1-16(2-5-19)22-20(12-29-7-9-30(10-8-29)24(32)18-13-33-14-18)31-11-17(3-6-21(31)27-22)23-26-15-34-28-23;1-32-14-21(31)29-10-8-28(9-11-29)13-19-22(16-2-5-18(24)6-3-16)26-20-7-4-17(12-30(19)20)23-25-15-33-27-23;1-34(31,32)26-19-6-7-21-25-22(16-2-4-18(24)5-3-16)20(29(21)12-19)13-27-8-10-28(11-9-27)23(30)17-14-33-15-17/h2-12,17H,13-16H2,1H3;1-6,11,15,18H,7-10,12-14H2;2-7,12,15H,8-11,13-14H2,1H3;2-7,12,17,26H,8-11,13-15H2,1H3.

What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 1880.82 g/mol, XLogP of 13.02, 20 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone;[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxetan-3-yl)methanone;N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 159198413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).