[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone

C144H167Cl6F5N28O5 — CID 159492477

About [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone

[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone (PubChem CID 159492477) has the molecular formula C144H167Cl6F5N28O5 and a molecular weight of 2677.82 g/mol. Its IUPAC name is [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone
• PubChem CID: 159492477
• Molecular Formula: C144H167Cl6F5N28O5
• Molecular Weight: 2677.82 g/mol
• Exact Mass: 2673.17
• IUPAC Name: [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone
• SMILES: C[C@H]1CN(c2cc(F)ccc2C#N)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3c(nc4ccccc43)C2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)n1C.Cc1cc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)c(C)n3C)[C@@H](C)C2)cc(F)c1F.Cc1cc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)cn3C)[C@@H](C)C2)cc(F)c1F
• InChI: InChI=1S/C30H36ClF2N5O.C29H34ClF2N5O.C29H32ClFN6O.C28H34Cl2N6O.C28H31ClN6O/c1-20-15-24(17-26(32)29(20)33)37-13-14-38(21(2)18-37)30(39)28-16-23(22(3)34(28)4)19-35-9-11-36(12-10-35)27-8-6-5-7-25(27)31;1-20-14-23(16-25(31)28(20)32)36-12-13-37(21(2)17-36)29(38)27-15-22(18-33(27)3)19-34-8-10-35(11-9-34)26-7-5-4-6-24(26)30;1-21-18-36(27-16-24(31)8-7-23(27)17-32)13-14-37(21)29(38)28-15-22(19-33(28)2)20-34-9-11-35(12-10-34)26-6-4-3-5-25(26)30;1-20-18-35(24-7-4-6-23(29)17-24)14-15-36(20)28(37)26-16-22(21(2)32(26)3)19-33-10-12-34(13-11-33)27-25(30)8-5-9-31-27;1-20-21(18-32-11-13-33(14-12-32)24-9-5-3-7-22(24)29)17-26(31(20)2)28(36)34-15-16-35-25-10-6-4-8-23(25)30-27(35)19-34/h5-8,15-17,21H,9-14,18-19H2,1-4H3;4-7,14-16,18,21H,8-13,17,19H2,1-3H3;3-8,15-16,19,21H,9-14,18,20H2,1-2H3;4-9,16-17,20H,10-15,18-19H2,1-3H3;3-10,17H,11-16,18-19H2,1-2H3/t3*21-;20-;/m0000./s1
• InChIKey: LYJDZMXUPSNLKK-QCQHQMQASA-N
• XLogP: 23.57
• TPSA: 226.06 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.82
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone?

The IUPAC name of [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone (CID 159492477) is [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone.

What is the SMILES notation for [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone?

The canonical SMILES for [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone is C[C@H]1CN(c2cc(F)ccc2C#N)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C.Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCn3c(nc4ccccc43)C2)n1C.Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)n1C.Cc1cc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)c(C)n3C)[C@@H](C)C2)cc(F)c1F.Cc1cc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)cn3C)[C@@H](C)C2)cc(F)c1F.

What is the InChIKey of [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone?

The InChIKey is LYJDZMXUPSNLKK-QCQHQMQASA-N. The full InChI is InChI=1S/C30H36ClF2N5O.C29H34ClF2N5O.C29H32ClFN6O.C28H34Cl2N6O.C28H31ClN6O/c1-20-15-24(17-26(32)29(20)33)37-13-14-38(21(2)18-37)30(39)28-16-23(22(3)34(28)4)19-35-9-11-36(12-10-35)27-8-6-5-7-25(27)31;1-20-14-23(16-25(31)28(20)32)36-12-13-37(21(2)17-36)29(38)27-15-22(18-33(27)3)19-34-8-10-35(11-9-34)26-7-5-4-6-24(26)30;1-21-18-36(27-16-24(31)8-7-23(27)17-32)13-14-37(21)29(38)28-15-22(19-33(28)2)20-34-9-11-35(12-10-34)26-6-4-3-5-25(26)30;1-20-18-35(24-7-4-6-23(29)17-24)14-15-36(20)28(37)26-16-22(21(2)32(26)3)19-33-10-12-34(13-11-33)27-25(30)8-5-9-31-27;1-20-21(18-32-11-13-33(14-12-32)24-9-5-3-7-22(24)29)17-26(31(20)2)28(36)34-15-16-35-25-10-6-4-8-23(25)30-27(35)19-34/h5-8,15-17,21H,9-14,18-19H2,1-4H3;4-7,14-16,18,21H,8-13,17,19H2,1-3H3;3-8,15-16,19,21H,9-14,18,20H2,1-2H3;4-9,16-17,20H,10-15,18-19H2,1-3H3;3-10,17H,11-16,18-19H2,1-2H3/t3*21-;20-;/m0000./s1.

What are the key properties of [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone?

[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone has a molecular weight of 2677.82 g/mol, XLogP of 23.57, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]-[4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone;2-[(3S)-4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carbonyl]-3-methylpiperazin-1-yl]-4-fluorobenzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluoro-5-methylphenyl)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 159492477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).