2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid

C25H21F4NO3 — CID 160734274

IUPAC2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCCC2c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C25H21F4NO3/c26-18-7-4-15(5-8-18)14-33-23-9-6-17(25(27,28)29)13-21(23)19-2-1-3-20(19)22-12-16(24(31)32)10-11-30-22/h4-13,19-20H,1-3,14H2,(H,31,32)
InChIKeyRUSYJBIJIGPEFS-UHFFFAOYSA-N
MW459.44 g/mol
LogP6.57
Rot. Bonds6

About 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid

2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid (PubChem CID 160734274) has the molecular formula C25H21F4NO3 and a molecular weight of 459.44 g/mol. Its IUPAC name is 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid
PubChem CID160734274
Molecular FormulaC25H21F4NO3
Molecular Weight459.44 g/mol
Exact Mass459.15
IUPAC Name2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCCC2c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C25H21F4NO3/c26-18-7-4-15(5-8-18)14-33-23-9-6-17(25(27,28)29)13-21(23)19-2-1-3-20(19)22-12-16(24(31)32)10-11-30-22/h4-13,19-20H,1-3,14H2,(H,31,32)
InChIKeyRUSYJBIJIGPEFS-UHFFFAOYSA-N
XLogP6.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.44
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-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

Related Compounds

6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid
CID 142815798
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
6-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 87627432
3-amino-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
2-[[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 11979192
6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid
CID 142815869
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
CID 155153809
2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 166174078
4-[[2-[cyclohexylsulfonyl(propan-2-yl)amino]-5-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 22672012
4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid
CID 18914208
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid (CID 160734274) is 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C2CCCC2c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid?
The InChIKey is RUSYJBIJIGPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4NO3/c26-18-7-4-15(5-8-18)14-33-23-9-6-17(25(27,28)29)13-21(23)19-2-1-3-20(19)22-12-16(24(31)32)10-11-30-22/h4-13,19-20H,1-3,14H2,(H,31,32).
What are the key properties of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid?
2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid has a molecular weight of 459.44 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160734274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).