methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate

C26H28FN3O4 — CID 126581140

IUPACmethyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate
SMILESCOC(=O)CC(c1cccc(OCc2cnn(-c3cc(OC)ncc3F)c2C2CC2)c1)C1CC1
InChIInChI=1S/C26H28FN3O4/c1-32-24-12-23(22(27)14-28-24)30-26(17-8-9-17)19(13-29-30)15-34-20-5-3-4-18(10-20)21(16-6-7-16)11-25(31)33-2/h3-5,10,12-14,16-17,21H,6-9,11,15H2,1-2H3
InChIKeyFPLGDCPWNBCOHX-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.93
Rot. Bonds10

About methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate

methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate (PubChem CID 126581140) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate
PubChem CID126581140
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Namemethyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate
SMILESCOC(=O)CC(c1cccc(OCc2cnn(-c3cc(OC)ncc3F)c2C2CC2)c1)C1CC1
InChIInChI=1S/C26H28FN3O4/c1-32-24-12-23(22(27)14-28-24)30-26(17-8-9-17)19(13-29-30)15-34-20-5-3-4-18(10-20)21(16-6-7-16)11-25(31)33-2/h3-5,10,12-14,16-17,21H,6-9,11,15H2,1-2H3
InChIKeyFPLGDCPWNBCOHX-UHFFFAOYSA-N
XLogP4.93
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate with MolForge

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Related Compounds

(3R)-3-cyclopropyl-3-[3-[[1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
CID 126576858
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-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
CID 126567407
3-[3-[[5-bromo-1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 126568926
methyl (3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-propan-2-ylpyrazin-2-yl]methoxy]phenyl]propanoate
CID 118645828
[3-(1-cyclopropyl-3-methoxy-3-oxopropyl)phenyl] 5-[[ethyl(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
CID 155341965
5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126586035
methyl (3S)-3-cyclopropyl-3-[3-[[5-[(1R)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate;methyl (3R)-3-cyclopropyl-3-[3-[[5-[(1R)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate;methyl (3S)-3-cyclopropyl-3-[3-[[5-[(1S)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate;methyl (3R)-3-cyclopropyl-3-[3-[[5-[(1S)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 160918371
methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate
CID 126584410
(3S)-3-cyclopropyl-3-[3-[4-(5-fluoro-2-methoxy-4-pyridinyl)benzoyl]oxyphenyl]propanoic acid
CID 164822897
ethyl 3-cyclopropyl-3-[3-[[6-(5,5-dimethylcyclopenten-1-yl)-5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]methoxy]phenyl]propanoate
CID 129288807
methyl (3S)-3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoate
CID 118301957

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate (CID 126581140) is methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate is COC(=O)CC(c1cccc(OCc2cnn(-c3cc(OC)ncc3F)c2C2CC2)c1)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate?
The InChIKey is FPLGDCPWNBCOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-32-24-12-23(22(27)14-28-24)30-26(17-8-9-17)19(13-29-30)15-34-20-5-3-4-18(10-20)21(16-6-7-16)11-25(31)33-2/h3-5,10,12-14,16-17,21H,6-9,11,15H2,1-2H3.
What are the key properties of methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate?
methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate has a molecular weight of 465.53 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate is sourced from PubChem (CID 126581140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).