[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one

C116H114ClFN18O9 — CID 158150249

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 158150249) has the molecular formula C116H114ClFN18O9 and a molecular weight of 1958.76 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 158150249
• Molecular Formula: C116H114ClFN18O9
• Molecular Weight: 1958.76 g/mol
• Exact Mass: 1956.87
• IUPAC Name: [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
• SMILES: CC(C)C(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C(C)C)CC2)c1.O=C(C1CC1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C31H26ClFN4O.C29H32N4O2.C28H27N5O3.C28H29N5O3/c32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24;1-21(2)29(34)32-16-14-31(15-17-32)20-26-28(23-10-7-11-25(18-23)35-3)30-27-13-12-24(19-33(26)27)22-8-5-4-6-9-22;34-28(21-9-10-21)31-15-13-30(14-16-31)19-25-27(22-7-4-8-24(17-22)33(35)36)29-26-12-11-23(18-32(25)26)20-5-2-1-3-6-20;1-20(2)28(34)31-15-13-30(14-16-31)19-25-27(22-9-6-10-24(17-22)33(35)36)29-26-12-11-23(18-32(25)26)21-7-4-3-5-8-21/h1-15,20H,16-19,21H2;4-13,18-19,21H,14-17,20H2,1-3H3;1-8,11-12,17-18,21H,9-10,13-16,19H2;3-12,17-18,20H,13-16,19H2,1-2H3
• InChIKey: YKYHYTNZYORJTE-UHFFFAOYSA-N
• XLogP: 20.90
• TPSA: 258.91 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.76
LogP ≤ 5	20.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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 [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?

The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one (CID 158150249) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C(C)C)CC2)c1.O=C(C1CC1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?

The InChIKey is YKYHYTNZYORJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClFN4O.C29H32N4O2.C28H27N5O3.C28H29N5O3/c32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24;1-21(2)29(34)32-16-14-31(15-17-32)20-26-28(23-10-7-11-25(18-23)35-3)30-27-13-12-24(19-33(26)27)22-8-5-4-6-9-22;34-28(21-9-10-21)31-15-13-30(14-16-31)19-25-27(22-7-4-8-24(17-22)33(35)36)29-26-12-11-23(18-32(25)26)20-5-2-1-3-6-20;1-20(2)28(34)31-15-13-30(14-16-31)19-25-27(22-9-6-10-24(17-22)33(35)36)29-26-12-11-23(18-32(25)26)21-7-4-3-5-8-21/h1-15,20H,16-19,21H2;4-13,18-19,21H,14-17,20H2,1-3H3;1-8,11-12,17-18,21H,9-10,13-16,19H2;3-12,17-18,20H,13-16,19H2,1-2H3.

What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one?

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 1958.76 g/mol, XLogP of 20.90, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;cyclopropyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 158150249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).