5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid

C20H22FNO3 — CID 121446975

IUPAC5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(-c2cccnc2OC2CCC2)cc1F
InChIInChI=1S/C20H22FNO3/c21-18-13-15(11-10-14(18)5-1-2-9-19(23)24)17-8-4-12-22-20(17)25-16-6-3-7-16/h4,8,10-13,16H,1-3,5-7,9H2,(H,23,24)
InChIKeyPMMCJDIKJBHAQO-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.62
Rot. Bonds8

About 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid

5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid (PubChem CID 121446975) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid
PubChem CID121446975
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(-c2cccnc2OC2CCC2)cc1F
InChIInChI=1S/C20H22FNO3/c21-18-13-15(11-10-14(18)5-1-2-9-19(23)24)17-8-4-12-22-20(17)25-16-6-3-7-16/h4,8,10-13,16H,1-3,5-7,9H2,(H,23,24)
InChIKeyPMMCJDIKJBHAQO-UHFFFAOYSA-N
XLogP4.62
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic 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

sodium (2S,3R)-3-cyclopropyl-3-[2-[2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145956406
sodium (2S,3R)-3-cyclopropyl-3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145956795
(3S)-3-cyclopropyl-3-[2-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-4-pyridinyl]propanoic acid
CID 86288852
AP5 sodium
CID 145961418
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
CID 155565379
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
6-{[6-(4-Fluorophenyl)-4-phenylpyridin-2-YL]oxy}hexanoic acid
CID 10362331
(3S)-3-cyclopropyl-3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]propanoic acid
CID 57705806
3-Pyridin-3-yl-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 59132740
3-Pyridin-4-yl-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 68676271
US9963444, Example 41
CID 118524890
(3S)-3-cyclopropyl-3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 118642372

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid?
The IUPAC name of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid (CID 121446975) is 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid?
The canonical SMILES for 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid is O=C(O)CCCCc1ccc(-c2cccnc2OC2CCC2)cc1F.
What is the InChIKey of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid?
The InChIKey is PMMCJDIKJBHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-18-13-15(11-10-14(18)5-1-2-9-19(23)24)17-8-4-12-22-20(17)25-16-6-3-7-16/h4,8,10-13,16H,1-3,5-7,9H2,(H,23,24).
What are the key properties of 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid?
5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid has a molecular weight of 343.40 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclobutyloxy-3-pyridinyl)-2-fluorophenyl]pentanoic acid is sourced from PubChem (CID 121446975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).