2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C122H112Cl4FN17O7S — CID 161047450

About 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 161047450) has the molecular formula C122H112Cl4FN17O7S and a molecular weight of 2121.23 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
• PubChem CID: 161047450
• Molecular Formula: C122H112Cl4FN17O7S
• Molecular Weight: 2121.23 g/mol
• Exact Mass: 2117.74
• IUPAC Name: 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
• SMILES: COc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1.COc1ccccc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(Nc1cccc(F)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=S(=O)(C1CC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/2C32H29ClN4O2.C31H27ClFN5O.C27H27ClN4O2S/c1-39-29-10-6-5-9-27(29)32(38)36-19-17-35(18-20-36)22-28-31(24-11-14-26(33)15-12-24)34-30-16-13-25(21-37(28)30)23-7-3-2-4-8-23;1-39-28-9-5-8-25(20-28)32(38)36-18-16-35(17-19-36)22-29-31(24-10-13-27(33)14-11-24)34-30-15-12-26(21-37(29)30)23-6-3-2-4-7-23;32-25-12-9-23(10-13-25)30-28(38-20-24(11-14-29(38)35-30)22-5-2-1-3-6-22)21-36-15-17-37(18-16-36)31(39)34-27-8-4-7-26(33)19-27;28-23-9-6-21(7-10-23)27-25(19-30-14-16-31(17-15-30)35(33,34)24-11-12-24)32-18-22(8-13-26(32)29-27)20-4-2-1-3-5-20/h2-16,21H,17-20,22H2,1H3;2-15,20-21H,16-19,22H2,1H3;1-14,19-20H,15-18,21H2,(H,34,39);1-10,13,18,24H,11-12,14-17,19H2
• InChIKey: UBRKWFYOTWGDBE-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 210.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.23
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?

The IUPAC name of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 161047450) is 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?

The canonical SMILES for 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1.COc1ccccc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(Nc1cccc(F)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=S(=O)(C1CC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?

The InChIKey is UBRKWFYOTWGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H29ClN4O2.C31H27ClFN5O.C27H27ClN4O2S/c1-39-29-10-6-5-9-27(29)32(38)36-19-17-35(18-20-36)22-28-31(24-11-14-26(33)15-12-24)34-30-16-13-25(21-37(28)30)23-7-3-2-4-8-23;1-39-28-9-5-8-25(20-28)32(38)36-18-16-35(17-19-36)22-29-31(24-10-13-27(33)14-11-24)34-30-15-12-26(21-37(29)30)23-6-3-2-4-7-23;32-25-12-9-23(10-13-25)30-28(38-20-24(11-14-29(38)35-30)22-5-2-1-3-6-22)21-36-15-17-37(18-16-36)31(39)34-27-8-4-7-26(33)19-27;28-23-9-6-21(7-10-23)27-25(19-30-14-16-31(17-15-30)35(33,34)24-11-12-24)32-18-22(8-13-26(32)29-27)20-4-2-1-3-5-20/h2-16,21H,17-20,22H2,1H3;2-15,20-21H,16-19,22H2,1H3;1-14,19-20H,15-18,21H2,(H,34,39);1-10,13,18,24H,11-12,14-17,19H2.

What are the key properties of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?

2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 2121.23 g/mol, XLogP of 24.32, 23 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 161047450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).