2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

C141H161Cl5F8N26O5 — CID 157221937

About 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone

2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 157221937) has the molecular formula C141H161Cl5F8N26O5 and a molecular weight of 2629.26 g/mol. Its IUPAC name is 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
• PubChem CID: 157221937
• Molecular Formula: C141H161Cl5F8N26O5
• Molecular Weight: 2629.26 g/mol
• Exact Mass: 2625.15
• IUPAC Name: 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
• SMILES: C[C@H]1CN(c2ccc(F)c(F)c2)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3C#N)CC2)n1C.Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.O=C(c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1CC(F)(F)F)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C29H34ClF2N5O.C29H33ClN6O.C28H31ClF3N5O.C28H32ClF2N5O.C27H31ClFN5O/c1-20-18-36(23-8-9-25(31)26(32)17-23)14-15-37(20)29(38)28-16-22(21(2)33(28)3)19-34-10-12-35(13-11-34)27-7-5-4-6-24(27)30;1-22-24(21-33-11-13-35(14-12-33)27-10-6-4-8-25(27)30)19-28(32(22)2)29(37)36-17-15-34(16-18-36)26-9-5-3-7-23(26)20-31;29-24-8-4-5-9-25(24)35-12-10-33(11-13-35)19-22-18-26(37(20-22)21-28(30,31)32)27(38)36-16-14-34(15-17-36)23-6-2-1-3-7-23;1-20-17-35(22-7-8-24(30)25(31)16-22)13-14-36(20)28(37)27-15-21(18-32(27)2)19-33-9-11-34(12-10-33)26-6-4-3-5-23(26)29;1-30-19-21(20-31-10-12-33(13-11-31)25-5-3-2-4-24(25)28)18-26(30)27(35)34-16-14-32(15-17-34)23-8-6-22(29)7-9-23/h4-9,16-17,20H,10-15,18-19H2,1-3H3;3-10,19H,11-18,21H2,1-2H3;1-9,18,20H,10-17,19,21H2;3-8,15-16,18,20H,9-14,17,19H2,1-2H3;2-9,18-19H,10-17,20H2,1H3/t20-;;;20-;/m0..0./s1
• InChIKey: ATCDGAOLJISJAT-YQSAALDQSA-N
• XLogP: 22.80
• TPSA: 198.59 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.26
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The IUPAC name of 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 157221937) is 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

What is the SMILES notation for 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The canonical SMILES for 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone is C[C@H]1CN(c2ccc(F)c(F)c2)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)C[C@@H]2C)n1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3C#N)CC2)n1C.Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.O=C(c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1CC(F)(F)F)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The InChIKey is ATCDGAOLJISJAT-YQSAALDQSA-N. The full InChI is InChI=1S/C29H34ClF2N5O.C29H33ClN6O.C28H31ClF3N5O.C28H32ClF2N5O.C27H31ClFN5O/c1-20-18-36(23-8-9-25(31)26(32)17-23)14-15-37(20)29(38)28-16-22(21(2)33(28)3)19-34-10-12-35(13-11-34)27-7-5-4-6-24(27)30;1-22-24(21-33-11-13-35(14-12-33)27-10-6-4-8-25(27)30)19-28(32(22)2)29(37)36-17-15-34(16-18-36)26-9-5-3-7-23(26)20-31;29-24-8-4-5-9-25(24)35-12-10-33(11-13-35)19-22-18-26(37(20-22)21-28(30,31)32)27(38)36-16-14-34(15-17-36)23-6-2-1-3-7-23;1-20-17-35(22-7-8-24(30)25(31)16-22)13-14-36(20)28(37)27-15-21(18-32(27)2)19-33-9-11-34(12-10-33)26-6-4-3-5-23(26)29;1-30-19-21(20-31-10-12-33(13-11-31)25-5-3-2-4-24(25)28)18-26(30)27(35)34-16-14-32(15-17-34)23-8-6-22(29)7-9-23/h4-9,16-17,20H,10-15,18-19H2,1-3H3;3-10,19H,11-18,21H2,1-2H3;1-9,18,20H,10-17,19,21H2;3-8,15-16,18,20H,9-14,17,19H2,1-2H3;2-9,18-19H,10-17,20H2,1H3/t20-;;;20-;/m0..0./s1.

What are the key properties of 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone?

2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 2629.26 g/mol, XLogP of 22.80, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 157221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).