2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid

C132H103F21N12O29 — CID 159722756

About 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid

2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid (PubChem CID 159722756) has the molecular formula C132H103F21N12O29 and a molecular weight of 2720.29 g/mol. Its IUPAC name is 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid
• PubChem CID: 159722756
• Molecular Formula: C132H103F21N12O29
• Molecular Weight: 2720.29 g/mol
• Exact Mass: 2718.66
• IUPAC Name: 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid
• SMILES: COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(C(F)(F)F)cn4)cc3)cc2)c(C(F)(F)F)c1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(C(F)(F)F)nc4)cc3)cc2)c(C(F)(F)F)c1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccnc(OC)c4)cc3)cc2)c(C(F)(F)F)c1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4cnccc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1
• InChI: InChI=1S/3C33H25F6N3O7.C33H28F3N3O8/c1-48-25-12-6-21(26(15-25)33(37,38)39)14-28(43)41-23-8-4-20(5-9-23)30(46)42(18-29(44)45)17-19-2-10-24(11-3-19)49-31(47)27-13-7-22(16-40-27)32(34,35)36;1-48-25-12-6-21(26(15-25)32(34,35)36)14-28(43)41-23-8-4-20(5-9-23)30(46)42(18-29(44)45)17-19-2-10-24(11-3-19)49-31(47)22-7-13-27(40-16-22)33(37,38)39;1-48-24-11-6-21(27(15-24)33(37,38)39)14-28(43)41-22-7-4-20(5-8-22)30(46)42(18-29(44)45)17-19-2-9-23(10-3-19)49-31(47)25-16-40-13-12-26(25)32(34,35)36;1-45-26-12-7-22(27(17-26)33(34,35)36)15-28(40)38-24-8-5-21(6-9-24)31(43)39(19-30(41)42)18-20-3-10-25(11-4-20)47-32(44)23-13-14-37-29(16-23)46-2/h3*2-13,15-16H,14,17-18H2,1H3,(H,41,43)(H,44,45);3-14,16-17H,15,18-19H2,1-2H3,(H,38,40)(H,41,42)
• InChIKey: NAFZXJYXLDEVMA-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 549.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 45
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2720.29
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid?

The IUPAC name of 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid (CID 159722756) is 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid.

What is the SMILES notation for 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid?

The canonical SMILES for 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid is COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(C(F)(F)F)cn4)cc3)cc2)c(C(F)(F)F)c1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(C(F)(F)F)nc4)cc3)cc2)c(C(F)(F)F)c1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccnc(OC)c4)cc3)cc2)c(C(F)(F)F)c1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4cnccc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1.

What is the InChIKey of 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid?

The InChIKey is NAFZXJYXLDEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H25F6N3O7.C33H28F3N3O8/c1-48-25-12-6-21(26(15-25)33(37,38)39)14-28(43)41-23-8-4-20(5-9-23)30(46)42(18-29(44)45)17-19-2-10-24(11-3-19)49-31(47)27-13-7-22(16-40-27)32(34,35)36;1-48-25-12-6-21(26(15-25)32(34,35)36)14-28(43)41-23-8-4-20(5-9-23)30(46)42(18-29(44)45)17-19-2-10-24(11-3-19)49-31(47)22-7-13-27(40-16-22)33(37,38)39;1-48-24-11-6-21(27(15-24)33(37,38)39)14-28(43)41-22-7-4-20(5-8-22)30(46)42(18-29(44)45)17-19-2-9-23(10-3-19)49-31(47)25-16-40-13-12-26(25)32(34,35)36;1-45-26-12-7-22(27(17-26)33(34,35)36)15-28(40)38-24-8-5-21(6-9-24)31(43)39(19-30(41)42)18-20-3-10-25(11-4-20)47-32(44)23-13-14-37-29(16-23)46-2/h3*2-13,15-16H,14,17-18H2,1H3,(H,41,43)(H,44,45);3-14,16-17H,15,18-19H2,1-2H3,(H,38,40)(H,41,42).

What are the key properties of 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid?

2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid has a molecular weight of 2720.29 g/mol, XLogP of 24.01, 45 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2-methoxypyridine-4-carbonyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[4-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[5-(trifluoromethyl)pyridine-2-carbonyl]oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-[6-(trifluoromethyl)pyridine-3-carbonyl]oxyphenyl]methyl]amino]acetic acid is sourced from PubChem (CID 159722756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).