N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone

C100H105Cl5N22O12S2 — CID 159251177

About N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone

N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 159251177) has the molecular formula C100H105Cl5N22O12S2 and a molecular weight of 2048.48 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone
• PubChem CID: 159251177
• Molecular Formula: C100H105Cl5N22O12S2
• Molecular Weight: 2048.48 g/mol
• Exact Mass: 2044.62
• IUPAC Name: N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone
• SMILES: CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)C4COC4)CC3)n2c1)S(C)(=O)=O.CN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccnnc4)CC3)n2c1)S(C)(=O)=O.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CC1
• InChI: InChI=1S/C28H29ClN4O2.C25H26ClN7O3S.C24H28ClN5O4S.C23H22Cl2N6O3/c1-28(2,35)27(34)32-16-14-31(15-17-32)19-24-26(21-8-11-23(29)12-9-21)30-25-13-10-22(18-33(24)25)20-6-4-3-5-7-20;1-30(37(2,35)36)21-7-8-23-29-24(18-3-5-20(26)6-4-18)22(33(23)16-21)17-31-11-13-32(14-12-31)25(34)19-9-10-27-28-15-19;1-27(35(2,32)33)20-7-8-22-26-23(17-3-5-19(25)6-4-17)21(30(22)13-20)14-28-9-11-29(12-10-28)24(31)18-15-34-16-18;1-33-13-21(32)30-8-6-29(7-9-30)12-19-22(17-4-3-16(24)10-18(17)25)27-20-5-2-15(11-31(19)20)23-26-14-34-28-23/h3-13,18,35H,14-17,19H2,1-2H3;3-10,15-16H,11-14,17H2,1-2H3;3-8,13,18H,9-12,14-16H2,1-2H3;2-5,10-11,14H,6-9,12-13H2,1H3
• InChIKey: KVHWQRHWCUCIJM-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 341.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.48
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone?

The IUPAC name of N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone (CID 159251177) is N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone.

What is the SMILES notation for N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone?

The canonical SMILES for N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone is CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.CN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)C4COC4)CC3)n2c1)S(C)(=O)=O.CN(c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccnnc4)CC3)n2c1)S(C)(=O)=O.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CC1.

What is the InChIKey of N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone?

The InChIKey is KVHWQRHWCUCIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2.C25H26ClN7O3S.C24H28ClN5O4S.C23H22Cl2N6O3/c1-28(2,35)27(34)32-16-14-31(15-17-32)19-24-26(21-8-11-23(29)12-9-21)30-25-13-10-22(18-33(24)25)20-6-4-3-5-7-20;1-30(37(2,35)36)21-7-8-23-29-24(18-3-5-20(26)6-4-18)22(33(23)16-21)17-31-11-13-32(14-12-31)25(34)19-9-10-27-28-15-19;1-27(35(2,32)33)20-7-8-22-26-23(17-3-5-19(25)6-4-17)21(30(22)13-20)14-28-9-11-29(12-10-28)24(31)18-15-34-16-18;1-33-13-21(32)30-8-6-29(7-9-30)12-19-22(17-4-3-16(24)10-18(17)25)27-20-5-2-15(11-31(19)20)23-26-14-34-28-23/h3-13,18,35H,14-17,19H2,1-2H3;3-10,15-16H,11-14,17H2,1-2H3;3-8,13,18H,9-12,14-16H2,1-2H3;2-5,10-11,14H,6-9,12-13H2,1H3.

What are the key properties of N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone?

N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 2048.48 g/mol, XLogP of 13.53, 23 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-3-[[4-(oxetane-3-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;N-[2-(4-chlorophenyl)-3-[[4-(pyridazine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 159251177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).