5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid

C25H24F4N2O3 — CID 69022832

About 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid

5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid (PubChem CID 69022832) has the molecular formula C25H24F4N2O3 and a molecular weight of 476.47 g/mol. Its IUPAC name is 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid
• PubChem CID: 69022832
• Molecular Formula: C25H24F4N2O3
• Molecular Weight: 476.47 g/mol
• Exact Mass: 476.17
• IUPAC Name: 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid
• SMILES: CCCC1(C(=O)O)C(c2ccccc2OC)NC(C)=C(C#N)C1c1ccc(F)cc1C(F)(F)F
• InChI: InChI=1S/C25H24F4N2O3/c1-4-11-24(23(32)33)21(16-10-9-15(26)12-19(16)25(27,28)29)18(13-30)14(2)31-22(24)17-7-5-6-8-20(17)34-3/h5-10,12,21-22,31H,4,11H2,1-3H3,(H,32,33)
• InChIKey: FYCYRHSCAIYMDB-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 82.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.47
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid (CID 69022832) is 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid is CCCC1(C(=O)O)C(c2ccccc2OC)NC(C)=C(C#N)C1c1ccc(F)cc1C(F)(F)F.

What is the InChIKey of 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid?

The InChIKey is FYCYRHSCAIYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O3/c1-4-11-24(23(32)33)21(16-10-9-15(26)12-19(16)25(27,28)29)18(13-30)14(2)31-22(24)17-7-5-6-8-20(17)34-3/h5-10,12,21-22,31H,4,11H2,1-3H3,(H,32,33).

What are the key properties of 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid?

5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid has a molecular weight of 476.47 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)-6-methyl-3-propyl-2,4-dihydro-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 69022832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).