3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C123H123Cl2FN16O7S — CID 161399081

About 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 161399081) has the molecular formula C123H123Cl2FN16O7S and a molecular weight of 2059.41 g/mol. Its IUPAC name is 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
• PubChem CID: 161399081
• Molecular Formula: C123H123Cl2FN16O7S
• Molecular Weight: 2059.41 g/mol
• Exact Mass: 2056.88
• IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
• SMILES: CC(C)(C)CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1.O=C(C1CCCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C32H29FN4O2.C31H30N4O3S.C30H31ClN4O.C30H33ClN4O/c1-39-28-9-5-8-25(20-28)31-29(37-21-26(12-15-30(37)34-31)23-6-3-2-4-7-23)22-35-16-18-36(19-17-35)32(38)24-10-13-27(33)14-11-24;1-38-27-12-8-11-25(21-27)31-29(35-22-26(15-16-30(35)32-31)24-9-4-2-5-10-24)23-33-17-19-34(20-18-33)39(36,37)28-13-6-3-7-14-28;31-26-13-10-23(11-14-26)29-27(21-33-16-18-34(19-17-33)30(36)24-8-4-5-9-24)35-20-25(12-15-28(35)32-29)22-6-2-1-3-7-22;1-30(2,3)19-28(36)34-17-15-33(16-18-34)21-26-29(23-9-12-25(31)13-10-23)32-27-14-11-24(20-35(26)27)22-7-5-4-6-8-22/h2-15,20-21H,16-19,22H2,1H3;2-16,21-22H,17-20,23H2,1H3;1-3,6-7,10-15,20,24H,4-5,8-9,16-19,21H2;4-14,20H,15-19,21H2,1-3H3
• InChIKey: VTZNKOHDFHQNJK-UHFFFAOYSA-N
• XLogP: 23.52
• TPSA: 198.93 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2059.41
LogP ≤ 5	23.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?

The IUPAC name of 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 161399081) is 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is CC(C)(C)CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1.COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1.O=C(C1CCCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?

The InChIKey is VTZNKOHDFHQNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O2.C31H30N4O3S.C30H31ClN4O.C30H33ClN4O/c1-39-28-9-5-8-25(20-28)31-29(37-21-26(12-15-30(37)34-31)23-6-3-2-4-7-23)22-35-16-18-36(19-17-35)32(38)24-10-13-27(33)14-11-24;1-38-27-12-8-11-25(21-27)31-29(35-22-26(15-16-30(35)32-31)24-9-4-2-5-10-24)23-33-17-19-34(20-18-33)39(36,37)28-13-6-3-7-14-28;31-26-13-10-23(11-14-26)29-27(21-33-16-18-34(19-17-33)30(36)24-8-4-5-9-24)35-20-25(12-15-28(35)32-29)22-6-2-1-3-7-22;1-30(2,3)19-28(36)34-17-15-33(16-18-34)21-26-29(23-9-12-25(31)13-10-23)32-27-14-11-24(20-35(26)27)22-7-5-4-6-8-22/h2-15,20-21H,16-19,22H2,1H3;2-16,21-22H,17-20,23H2,1H3;1-3,6-7,10-15,20,24H,4-5,8-9,16-19,21H2;4-14,20H,15-19,21H2,1-3H3.

What are the key properties of 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?

3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 2059.41 g/mol, XLogP of 23.52, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;(4-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 161399081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).