2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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

C116H107Cl4N15O7S — CID 158978336

About 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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 158978336) has the molecular formula C116H107Cl4N15O7S and a molecular weight of 1997.11 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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: 158978336
• Molecular Formula: C116H107Cl4N15O7S
• Molecular Weight: 1997.11 g/mol
• Exact Mass: 1993.70
• IUPAC Name: 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1.O=S(=O)(C1CC1)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/2C32H29ClN4O2.C28H28ClN3O2S.C24H21ClN4O/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;29-23-9-6-21(7-10-23)28-26(19-31-16-14-25(15-17-31)35(33,34)24-11-12-24)32-18-22(8-13-27(32)30-28)20-4-2-1-3-5-20;25-20-9-6-18(7-10-20)24-21(15-28-13-12-26-23(30)16-28)29-14-19(8-11-22(29)27-24)17-4-2-1-3-5-17/h2-16,21H,17-20,22H2,1H3;2-15,20-21H,16-19,22H2,1H3;1-10,13,18,24-25H,11-12,14-17,19H2;1-11,14H,12-13,15-16H2,(H,26,30)
• InChIKey: JORDIFODFJFDPO-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 204.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.11
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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 158978336) is 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1.O=S(=O)(C1CC1)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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 JORDIFODFJFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H29ClN4O2.C28H28ClN3O2S.C24H21ClN4O/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;29-23-9-6-21(7-10-23)28-26(19-31-16-14-25(15-17-31)35(33,34)24-11-12-24)32-18-22(8-13-27(32)30-28)20-4-2-1-3-5-20;25-20-9-6-18(7-10-20)24-21(15-28-13-12-26-23(30)16-28)29-14-19(8-11-22(29)27-24)17-4-2-1-3-5-17/h2-16,21H,17-20,22H2,1H3;2-15,20-21H,16-19,22H2,1H3;1-10,13,18,24-25H,11-12,14-17,19H2;1-11,14H,12-13,15-16H2,(H,26,30).

What are the key properties of 2-(4-chlorophenyl)-3-[(4-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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 1997.11 g/mol, XLogP of 22.69, 22 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-cyclopropylsulfonylpiperidin-1-yl)methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-2-one;[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 158978336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).