tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid

C155H176Cl6F3N17O25 — CID 159116094

About tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid

tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid (PubChem CID 159116094) has the molecular formula C155H176Cl6F3N17O25 and a molecular weight of 2946.92 g/mol. Its IUPAC name is tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid.

Molecular Properties

• Compound Name: tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid
• PubChem CID: 159116094
• Molecular Formula: C155H176Cl6F3N17O25
• Molecular Weight: 2946.92 g/mol
• Exact Mass: 2942.11
• IUPAC Name: tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid
• SMILES: Cc1ccnc(CCCCC(=O)NCC(=O)CC(CC(=O)O)c2cccc(OC(F)(F)F)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C33H35N3O4.C29H33N3O4.C24H27F3N2O5.3C23H27Cl2N3O4/c1-23-16-18-35-31(19-23)34-17-5-4-11-32(38)36-22-28(37)20-27(21-33(39)40)24-12-14-26(15-13-24)30-10-6-8-25-7-2-3-9-29(25)30;1-21-14-16-31-27(17-21)30-15-6-5-9-28(34)32-20-26(33)18-25(19-29(35)36)24-12-10-23(11-13-24)22-7-3-2-4-8-22;1-16-9-10-28-19(11-16)6-2-3-8-22(31)29-15-20(30)12-18(14-23(32)33)17-5-4-7-21(13-17)34-24(25,26)27;3*1-15-5-7-27-21(8-15)26-6-3-2-4-22(30)28-14-20(29)11-17(12-23(31)32)16-9-18(24)13-19(25)10-16/h2-3,6-10,12-16,18-19,27H,4-5,11,17,20-22H2,1H3,(H,34,35)(H,36,38)(H,39,40);2-4,7-8,10-14,16-17,25H,5-6,9,15,18-20H2,1H3,(H,30,31)(H,32,34)(H,35,36);4-5,7,9-11,13,18H,2-3,6,8,12,14-15H2,1H3,(H,29,31)(H,32,33);3*5,7-10,13,17H,2-4,6,11-12,14H2,1H3,(H,26,27)(H,28,30)(H,31,32)
• InChIKey: KFCHPMNVBKATLF-UHFFFAOYSA-N
• XLogP: 29.27
• TPSA: 647.54 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 30
• Rotatable Bonds: 80
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2946.92
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid?

The IUPAC name of tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid (CID 159116094) is tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid.

What is the SMILES notation for tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid?

The canonical SMILES for tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid is Cc1ccnc(CCCCC(=O)NCC(=O)CC(CC(=O)O)c2cccc(OC(F)(F)F)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid?

The InChIKey is KFCHPMNVBKATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O4.C29H33N3O4.C24H27F3N2O5.3C23H27Cl2N3O4/c1-23-16-18-35-31(19-23)34-17-5-4-11-32(38)36-22-28(37)20-27(21-33(39)40)24-12-14-26(15-13-24)30-10-6-8-25-7-2-3-9-29(25)30;1-21-14-16-31-27(17-21)30-15-6-5-9-28(34)32-20-26(33)18-25(19-29(35)36)24-12-10-23(11-13-24)22-7-3-2-4-8-22;1-16-9-10-28-19(11-16)6-2-3-8-22(31)29-15-20(30)12-18(14-23(32)33)17-5-4-7-21(13-17)34-24(25,26)27;3*1-15-5-7-27-21(8-15)26-6-3-2-4-22(30)28-14-20(29)11-17(12-23(31)32)16-9-18(24)13-19(25)10-16/h2-3,6-10,12-16,18-19,27H,4-5,11,17,20-22H2,1H3,(H,34,35)(H,36,38)(H,39,40);2-4,7-8,10-14,16-17,25H,5-6,9,15,18-20H2,1H3,(H,30,31)(H,32,34)(H,35,36);4-5,7,9-11,13,18H,2-3,6,8,12,14-15H2,1H3,(H,29,31)(H,32,33);3*5,7-10,13,17H,2-4,6,11-12,14H2,1H3,(H,26,27)(H,28,30)(H,31,32).

What are the key properties of tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid?

tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid has a molecular weight of 2946.92 g/mol, XLogP of 29.27, 80 rotatable bonds, 17 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid is sourced from PubChem (CID 159116094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).