(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid

C22H22FN3O4 — CID 126576858

IUPAC(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
SMILESCOc1cc(-n2cc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cn2)c(F)cn1
InChIInChI=1S/C22H22FN3O4/c1-29-21-9-20(19(23)11-24-21)26-12-14(10-25-26)13-30-17-4-2-3-16(7-17)18(8-22(27)28)15-5-6-15/h2-4,7,9-12,15,18H,5-6,8,13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyWCLZWGOWUKPOEX-GOSISDBHSA-N
MW411.43 g/mol
LogP3.96
Rot. Bonds9

About (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid

(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid (PubChem CID 126576858) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
PubChem CID126576858
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
SMILESCOc1cc(-n2cc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cn2)c(F)cn1
InChIInChI=1S/C22H22FN3O4/c1-29-21-9-20(19(23)11-24-21)26-12-14(10-25-26)13-30-17-4-2-3-16(7-17)18(8-22(27)28)15-5-6-15/h2-4,7,9-12,15,18H,5-6,8,13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyWCLZWGOWUKPOEX-GOSISDBHSA-N
XLogP3.96
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic 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

methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate
CID 126581140
(3S)-3-cyclopropyl-3-[3-[4-(5-fluoro-2-methoxy-4-pyridinyl)benzoyl]oxyphenyl]propanoic acid
CID 164822897
3-[3-[[5-bromo-1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 126568926
3-[3-[[6-chloro-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 118645796
(3S)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoyl]oxyphenyl]propanoic acid
CID 164822915
ethane;3-[3-[[1-(2-fluoro-5-methoxyphenyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
CID 145259021
3-cyclopropyl-3-[3-[[6-(3,5-dimethylphenyl)-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 118645407
(3S)-3-cyclopropyl-3-[3-[[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
CID 126567407
methyl 3-cyclopropyl-3-[3-[[5-(5-fluoro-2-methoxy-4-pyridinyl)-6-(2-methylpropyl)pyrazin-2-yl]methoxy]phenyl]propanoate
CID 118645732
(3S)-3-cyclopropyl-3-[3-[[5-(5-fluoro-2-methyl-4-pyridinyl)-6-(2-methylprop-1-enyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 118653649
(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
3-[3-[[6-cyclopentyloxy-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 129288793

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid (CID 126576858) is (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid is COc1cc(-n2cc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cn2)c(F)cn1.
What is the InChIKey of (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid?
The InChIKey is WCLZWGOWUKPOEX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-29-21-9-20(19(23)11-24-21)26-12-14(10-25-26)13-30-17-4-2-3-16(7-17)18(8-22(27)28)15-5-6-15/h2-4,7,9-12,15,18H,5-6,8,13H2,1H3,(H,27,28)/t18-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid?
(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid has a molecular weight of 411.43 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 126576858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).