5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid

C24H20F5N3O3 — CID 69245096

IUPAC5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(C(F)CCc2cnc(C(=O)O)cc2C(F)(F)F)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C24H20F5N3O3/c1-13-7-16(9-20(32-13)22(33)31-11-14-3-2-4-17(25)8-14)19(26)6-5-15-12-30-21(23(34)35)10-18(15)24(27,28)29/h2-4,7-10,12,19H,5-6,11H2,1H3,(H,31,33)(H,34,35)
InChIKeyQFCQFGYJUPOQTE-UHFFFAOYSA-N
MW493.43 g/mol
LogP5.21
Rot. Bonds8

About 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid

5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 69245096) has the molecular formula C24H20F5N3O3 and a molecular weight of 493.43 g/mol. Its IUPAC name is 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID69245096
Molecular FormulaC24H20F5N3O3
Molecular Weight493.43 g/mol
Exact Mass493.14
IUPAC Name5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(C(F)CCc2cnc(C(=O)O)cc2C(F)(F)F)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C24H20F5N3O3/c1-13-7-16(9-20(32-13)22(33)31-11-14-3-2-4-17(25)8-14)19(26)6-5-15-12-30-21(23(34)35)10-18(15)24(27,28)29/h2-4,7-10,12,19H,5-6,11H2,1H3,(H,31,33)(H,34,35)
InChIKeyQFCQFGYJUPOQTE-UHFFFAOYSA-N
XLogP5.21
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 69245096) is 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cc(C(F)CCc2cnc(C(=O)O)cc2C(F)(F)F)cc(C(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is QFCQFGYJUPOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N3O3/c1-13-7-16(9-20(32-13)22(33)31-11-14-3-2-4-17(25)8-14)19(26)6-5-15-12-30-21(23(34)35)10-18(15)24(27,28)29/h2-4,7-10,12,19H,5-6,11H2,1H3,(H,31,33)(H,34,35).
What are the key properties of 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid?
5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 493.43 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 69245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).