2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C115H111ClN18O11S2 — CID 159076059

About 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 159076059) has the molecular formula C115H111ClN18O11S2 and a molecular weight of 2020.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 159076059
• Molecular Formula: C115H111ClN18O11S2
• Molecular Weight: 2020.85 g/mol
• Exact Mass: 2018.78
• IUPAC Name: 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
• SMILES: CCCS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.O=C(c1ccco1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccs1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C30H32N4O2.C29H25N5O4.C29H25N5O3S.C27H29ClN4O2S/c1-36-26-12-6-11-24(19-26)29-27(21-32-15-17-33(18-16-32)30(35)23-9-5-10-23)34-20-25(13-14-28(34)31-29)22-7-3-2-4-8-22;35-29(26-10-5-17-38-26)32-15-13-31(14-16-32)20-25-28(22-8-4-9-24(18-22)34(36)37)30-27-12-11-23(19-33(25)27)21-6-2-1-3-7-21;35-29(26-7-4-18-38-26)32-16-14-31(15-17-32)20-25-28(22-8-11-24(12-9-22)34(36)37)30-27-13-10-23(19-33(25)27)21-5-2-1-3-6-21;1-2-18-35(33,34)31-16-14-30(15-17-31)20-25-27(22-8-11-24(28)12-9-22)29-26-13-10-23(19-32(25)26)21-6-4-3-5-7-21/h2-4,6-8,11-14,19-20,23H,5,9-10,15-18,21H2,1H3;1-12,17-19H,13-16,20H2;1-13,18-19H,14-17,20H2;3-13,19H,2,14-18,20H2,1H3
• InChIKey: BQDKHXXOSDGREJ-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 289.12 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.85
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	0
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-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 159076059) is 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is CCCS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.O=C(c1ccco1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccs1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The InChIKey is BQDKHXXOSDGREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2.C29H25N5O4.C29H25N5O3S.C27H29ClN4O2S/c1-36-26-12-6-11-24(19-26)29-27(21-32-15-17-33(18-16-32)30(35)23-9-5-10-23)34-20-25(13-14-28(34)31-29)22-7-3-2-4-8-22;35-29(26-10-5-17-38-26)32-15-13-31(14-16-32)20-25-28(22-8-4-9-24(18-22)34(36)37)30-27-12-11-23(19-33(25)27)21-6-2-1-3-7-21;35-29(26-7-4-18-38-26)32-16-14-31(15-17-32)20-25-28(22-8-11-24(12-9-22)34(36)37)30-27-13-10-23(19-33(25)27)21-5-2-1-3-6-21;1-2-18-35(33,34)31-16-14-30(15-17-31)20-25-27(22-8-11-24(28)12-9-22)29-26-13-10-23(19-32(25)26)21-6-4-3-5-7-21/h2-4,6-8,11-14,19-20,23H,5,9-10,15-18,21H2,1H3;1-12,17-19H,13-16,20H2;1-13,18-19H,14-17,20H2;3-13,19H,2,14-18,20H2,1H3.

What are the key properties of 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 2020.85 g/mol, XLogP of 21.02, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-6-phenyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;furan-2-yl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 159076059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).