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

C125H117Cl2FN18O9 — CID 159460367

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

(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 159460367) has the molecular formula C125H117Cl2FN18O9 and a molecular weight of 2105.33 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

• Compound Name: (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
• PubChem CID: 159460367
• Molecular Formula: C125H117Cl2FN18O9
• Molecular Weight: 2105.33 g/mol
• Exact Mass: 2102.86
• IUPAC Name: (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
• SMILES: CC(C)(C)CC(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3ccccc3Cl)CC2)c1.Cc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1.O=C(c1ccccc1Cl)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C32H29ClN4O2.C32H29FN4O.C31H26ClN5O3.C30H33N5O3/c1-39-26-11-7-10-24(20-26)31-29(37-21-25(14-15-30(37)34-31)23-8-3-2-4-9-23)22-35-16-18-36(19-17-35)32(38)27-12-5-6-13-28(27)33;1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24;32-27-9-5-4-8-26(27)31(38)35-18-16-34(17-19-35)21-28-30(23-10-13-25(14-11-23)37(39)40)33-29-15-12-24(20-36(28)29)22-6-2-1-3-7-22;1-30(2,3)19-28(36)33-17-15-32(16-18-33)21-26-29(23-9-12-25(13-10-23)35(37)38)31-27-14-11-24(20-34(26)27)22-7-5-4-6-8-22/h2-15,20-21H,16-19,22H2,1H3;2-16,21H,17-20,22H2,1H3;1-15,20H,16-19,21H2;4-14,20H,15-19,21H2,1-3H3
• InChIKey: LUNAVNGYPBGQEA-UHFFFAOYSA-N
• XLogP: 24.21
• TPSA: 258.91 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2105.33
LogP ≤ 5	24.21
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 (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?

The IUPAC name of (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 159460367) is (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.

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

The canonical SMILES for (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is CC(C)(C)CC(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3ccccc3Cl)CC2)c1.Cc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1.O=C(c1ccccc1Cl)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1.

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

The InChIKey is LUNAVNGYPBGQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O2.C32H29FN4O.C31H26ClN5O3.C30H33N5O3/c1-39-26-11-7-10-24(20-26)31-29(37-21-25(14-15-30(37)34-31)23-8-3-2-4-9-23)22-35-16-18-36(19-17-35)32(38)27-12-5-6-13-28(27)33;1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24;32-27-9-5-4-8-26(27)31(38)35-18-16-34(17-19-35)21-28-30(23-10-13-25(14-11-23)37(39)40)33-29-15-12-24(20-36(28)29)22-6-2-1-3-7-22;1-30(2,3)19-28(36)33-17-15-32(16-18-33)21-26-29(23-9-12-25(13-10-23)35(37)38)31-27-14-11-24(20-34(26)27)22-7-5-4-6-8-22/h2-15,20-21H,16-19,22H2,1H3;2-16,21H,17-20,22H2,1H3;1-15,20H,16-19,21H2;4-14,20H,15-19,21H2,1-3H3.

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

(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 2105.33 g/mol, XLogP of 24.21, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(2-chlorophenyl)-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;3,3-dimethyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 159460367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).