2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone

C121H125ClN20O9 — CID 159786859

About 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 159786859) has the molecular formula C121H125ClN20O9 and a molecular weight of 2038.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 159786859
• Molecular Formula: C121H125ClN20O9
• Molecular Weight: 2038.91 g/mol
• Exact Mass: 2036.96
• IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1.CC1CN(Cc2c(-c3ccccc3)nc3ccccn23)CC(C)O1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1.Cc1ccc2nc(-c3ccccc3)c(CN3CCNC(=O)C3)n2c1.O=C(C1CCC1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C33H31ClN4O3.C29H29N5O3.C20H22N4O.C20H23N3O.C19H20N4O/c1-40-29-9-5-8-25(20-29)33-30(38-21-26(10-15-31(38)35-33)24-6-3-2-4-7-24)22-36-16-18-37(19-17-36)32(39)23-41-28-13-11-27(34)12-14-28;35-29(22-8-4-9-22)32-16-14-31(15-17-32)20-26-28(23-10-5-11-25(18-23)34(36)37)30-27-13-12-24(19-33(26)27)21-6-2-1-3-7-21;1-16(25)23-13-11-22(12-14-23)15-18-20(17-7-3-2-4-8-17)21-19-9-5-6-10-24(18)19;1-15-12-22(13-16(2)24-15)14-18-20(17-8-4-3-5-9-17)21-19-10-6-7-11-23(18)19;1-14-7-8-17-21-19(15-5-3-2-4-6-15)16(23(17)11-14)12-22-10-9-20-18(24)13-22/h2-15,20-21H,16-19,22-23H2,1H3;1-3,5-7,10-13,18-19,22H,4,8-9,14-17,20H2;2-10H,11-15H2,1H3;3-11,15-16H,12-14H2,1-2H3;2-8,11H,9-10,12-13H2,1H3,(H,20,24)
• InChIKey: AURKUJFDVCEISU-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 263.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2038.91
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone (CID 159786859) is 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1.CC1CN(Cc2c(-c3ccccc3)nc3ccccn23)CC(C)O1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1.Cc1ccc2nc(-c3ccccc3)c(CN3CCNC(=O)C3)n2c1.O=C(C1CCC1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone?

The InChIKey is AURKUJFDVCEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN4O3.C29H29N5O3.C20H22N4O.C20H23N3O.C19H20N4O/c1-40-29-9-5-8-25(20-29)33-30(38-21-26(10-15-31(38)35-33)24-6-3-2-4-7-24)22-36-16-18-37(19-17-36)32(39)23-41-28-13-11-27(34)12-14-28;35-29(22-8-4-9-22)32-16-14-31(15-17-32)20-26-28(23-10-5-11-25(18-23)34(36)37)30-27-13-12-24(19-33(26)27)21-6-2-1-3-7-21;1-16(25)23-13-11-22(12-14-23)15-18-20(17-7-3-2-4-8-17)21-19-9-5-6-10-24(18)19;1-15-12-22(13-16(2)24-15)14-18-20(17-8-4-3-5-9-17)21-19-10-6-7-11-23(18)19;1-14-7-8-17-21-19(15-5-3-2-4-6-15)16(23(17)11-14)12-22-10-9-20-18(24)13-22/h2-15,20-21H,16-19,22-23H2,1H3;1-3,5-7,10-13,18-19,22H,4,8-9,14-17,20H2;2-10H,11-15H2,1H3;3-11,15-16H,12-14H2,1-2H3;2-8,11H,9-10,12-13H2,1H3,(H,20,24).

What are the key properties of 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone?

2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 2038.91 g/mol, XLogP of 19.59, 23 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;2,6-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-2-one;1-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159786859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).