4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid

C24H23F3N2O2 — CID 59161723

IUPAC4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid
SMILESCc1ccc(-c2cc(C(CC(C)C)C(=O)O)cc(-c3ccc(C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C24H23F3N2O2/c1-14(2)10-20(23(30)31)18-11-21(16-6-8-19(9-7-16)24(25,26)27)29-22(12-18)17-5-4-15(3)28-13-17/h4-9,11-14,20H,10H2,1-3H3,(H,30,31)
InChIKeyUWCAPONCEWMSLT-UHFFFAOYSA-N
MW428.45 g/mol
LogP6.35
Rot. Bonds6

About 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid

4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid (PubChem CID 59161723) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid
PubChem CID59161723
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid
SMILESCc1ccc(-c2cc(C(CC(C)C)C(=O)O)cc(-c3ccc(C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C24H23F3N2O2/c1-14(2)10-20(23(30)31)18-11-21(16-6-8-19(9-7-16)24(25,26)27)29-22(12-18)17-5-4-15(3)28-13-17/h4-9,11-14,20H,10H2,1-3H3,(H,30,31)
InChIKeyUWCAPONCEWMSLT-UHFFFAOYSA-N
XLogP6.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid (CID 59161723) is 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid is Cc1ccc(-c2cc(C(CC(C)C)C(=O)O)cc(-c3ccc(C(F)(F)F)cc3)n2)cn1.
What is the InChIKey of 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid?
The InChIKey is UWCAPONCEWMSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-14(2)10-20(23(30)31)18-11-21(16-6-8-19(9-7-16)24(25,26)27)29-22(12-18)17-5-4-15(3)28-13-17/h4-9,11-14,20H,10H2,1-3H3,(H,30,31).
What are the key properties of 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid?
4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid has a molecular weight of 428.45 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid is sourced from PubChem (CID 59161723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).