5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid

C20H21F2NO3 — CID 121446977

IUPAC5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccnc2OCC2CC2)cc1F
InChIInChI=1S/C20H21F2NO3/c21-17-10-14(11-18(22)16(17)4-1-2-6-19(24)25)15-5-3-9-23-20(15)26-12-13-7-8-13/h3,5,9-11,13H,1-2,4,6-8,12H2,(H,24,25)
InChIKeyIZQDMZVJHQMCEJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.61
Rot. Bonds9

About 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid

5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid (PubChem CID 121446977) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid
PubChem CID121446977
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccnc2OCC2CC2)cc1F
InChIInChI=1S/C20H21F2NO3/c21-17-10-14(11-18(22)16(17)4-1-2-6-19(24)25)15-5-3-9-23-20(15)26-12-13-7-8-13/h3,5,9-11,13H,1-2,4,6-8,12H2,(H,24,25)
InChIKeyIZQDMZVJHQMCEJ-UHFFFAOYSA-N
XLogP4.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-[2-fluoro-3-[[(1R)-5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
CID 155528372
(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-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 10071290
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
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]propanoic acid
CID 57706227
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 57707110

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid?
The IUPAC name of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid (CID 121446977) is 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid.
What is the SMILES notation for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid?
The canonical SMILES for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid is O=C(O)CCCCc1c(F)cc(-c2cccnc2OCC2CC2)cc1F.
What is the InChIKey of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid?
The InChIKey is IZQDMZVJHQMCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c21-17-10-14(11-18(22)16(17)4-1-2-6-19(24)25)15-5-3-9-23-20(15)26-12-13-7-8-13/h3,5,9-11,13H,1-2,4,6-8,12H2,(H,24,25).
What are the key properties of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid?
5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid has a molecular weight of 361.39 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]pentanoic acid is sourced from PubChem (CID 121446977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).