2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)

C132H128BrF23N10O30 — CID 159216773

About 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)

2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) (PubChem CID 159216773) has the molecular formula C132H128BrF23N10O30 and a molecular weight of 2851.37 g/mol. Its IUPAC name is 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide).

Molecular Properties

• Compound Name: 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
• PubChem CID: 159216773
• Molecular Formula: C132H128BrF23N10O30
• Molecular Weight: 2851.37 g/mol
• Exact Mass: 2848.76
• IUPAC Name: 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
• SMILES: COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(Br)n2)C(F)(F)F)ccc1OCC(N)=O
• InChI: InChI=1S/4C28H27F5N2O6.C20H20BrF3N2O6/c4*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;1-30-14-5-6-16(26-18(14)21)19(29,20(22,23)24)8-7-12(27)11-3-4-13(15(9-11)31-2)32-10-17(25)28/h4*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);3-6,9,29H,7-8,10H2,1-2H3,(H2,25,28)
• InChIKey: KREDDEYUOYCVAX-UHFFFAOYSA-N
• XLogP: 23.99
• TPSA: 604.85 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 58
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2851.37
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

The IUPAC name of 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) (CID 159216773) is 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide).

What is the SMILES notation for 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

The canonical SMILES for 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) is COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(Br)n2)C(F)(F)F)ccc1OCC(N)=O.

What is the InChIKey of 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

The InChIKey is KREDDEYUOYCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H27F5N2O6.C20H20BrF3N2O6/c4*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;1-30-14-5-6-16(26-18(14)21)19(29,20(22,23)24)8-7-12(27)11-3-4-13(15(9-11)31-2)32-10-17(25)28/h4*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);3-6,9,29H,7-8,10H2,1-2H3,(H2,25,28).

What are the key properties of 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?

2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) has a molecular weight of 2851.37 g/mol, XLogP of 23.99, 58 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) is sourced from PubChem (CID 159216773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).