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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

C111H110ClN17O12S — CID 161375628

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 161375628) has the molecular formula C111H110ClN17O12S and a molecular weight of 1941.73 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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• PubChem CID: 161375628
• Molecular Formula: C111H110ClN17O12S
• Molecular Weight: 1941.73 g/mol
• Exact Mass: 1939.79
• 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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• SMILES: CCCS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COCCNC(=O)CCc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(-c3ccccc3)cn12.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.O=C(c1ccco1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C30H32N4O2.C29H25N5O4.C27H29ClN4O2S.C25H24N4O4/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;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;1-33-16-15-26-24(30)14-12-22-25(19-7-10-21(11-8-19)29(31)32)27-23-13-9-20(17-28(22)23)18-5-3-2-4-6-18/h2-4,6-8,11-14,19-20,23H,5,9-10,15-18,21H2,1H3;1-12,17-19H,13-16,20H2;3-13,19H,2,14-18,20H2,1H3;2-11,13,17H,12,14-16H2,1H3,(H,26,30)
• InChIKey: FZUCKCOXUSCASR-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 303.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1941.73
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (CID 161375628) 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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is CCCS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COCCNC(=O)CCc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(-c3ccccc3)cn12.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.O=C(c1ccco1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The InChIKey is FZUCKCOXUSCASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2.C29H25N5O4.C27H29ClN4O2S.C25H24N4O4/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;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;1-33-16-15-26-24(30)14-12-22-25(19-7-10-21(11-8-19)29(31)32)27-23-13-9-20(17-28(22)23)18-5-3-2-4-6-18/h2-4,6-8,11-14,19-20,23H,5,9-10,15-18,21H2,1H3;1-12,17-19H,13-16,20H2;3-13,19H,2,14-18,20H2,1H3;2-11,13,17H,12,14-16H2,1H3,(H,26,30).

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 1941.73 g/mol, XLogP of 19.70, 28 rotatable bonds, 1 hydrogen bond donors, and 23 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;N-(2-methoxyethyl)-3-[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 161375628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).