ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate

C24H25FN2O4 — CID 118326568

IUPACethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate
SMILESCCOC(=O)CCCc1ccc(OCc2cc(F)ccc2-c2ccc(OC)nc2)cn1
InChIInChI=1S/C24H25FN2O4/c1-3-30-24(28)6-4-5-20-9-10-21(15-26-20)31-16-18-13-19(25)8-11-22(18)17-7-12-23(29-2)27-14-17/h7-15H,3-6,16H2,1-2H3
InChIKeyINSDVEWBTHTQMK-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.76
Rot. Bonds10

About ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate

ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate (PubChem CID 118326568) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate
PubChem CID118326568
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Nameethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate
SMILESCCOC(=O)CCCc1ccc(OCc2cc(F)ccc2-c2ccc(OC)nc2)cn1
InChIInChI=1S/C24H25FN2O4/c1-3-30-24(28)6-4-5-20-9-10-21(15-26-20)31-16-18-13-19(25)8-11-22(18)17-7-12-23(29-2)27-14-17/h7-15H,3-6,16H2,1-2H3
InChIKeyINSDVEWBTHTQMK-UHFFFAOYSA-N
XLogP4.76
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate with MolForge

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Related Compounds

ethyl 4-[5-[[2-[4-(1-cyanocyclopropyl)phenyl]-5-fluorophenyl]methoxy]-2-pyridinyl]butanoate
CID 118326639
ethyl 4-[5-[[2-(5-cyclopropylthiophen-2-yl)-4-fluorophenyl]methoxy]-2-pyridinyl]butanoate
CID 118326518
ethyl 3-[4-[[5-fluoro-2-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]methoxy]phenyl]propanoate
CID 118326577
ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
CID 79776365
4-[4-[[2-(6-cyclopropyl-3-pyridinyl)-5-fluorophenyl]methoxy]phenyl]butanoic acid
CID 118326658
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
1-[5-[(5-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105370370
10-O-[(2-bromo-5-fluorophenyl)methyl] 1-O-ethyl decanedioate
CID 91734726
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
ethyl 3-[5-[[3-(2-ethoxy-2-oxoacetyl)-2,4-difluorophenyl]methoxy]-2-pyridinyl]-2-oxopropanoate
CID 91557199

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate?
The IUPAC name of ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate (CID 118326568) is ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate.
What is the SMILES notation for ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate?
The canonical SMILES for ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate is CCOC(=O)CCCc1ccc(OCc2cc(F)ccc2-c2ccc(OC)nc2)cn1.
What is the InChIKey of ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate?
The InChIKey is INSDVEWBTHTQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-3-30-24(28)6-4-5-20-9-10-21(15-26-20)31-16-18-13-19(25)8-11-22(18)17-7-12-23(29-2)27-14-17/h7-15H,3-6,16H2,1-2H3.
What are the key properties of ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate?
ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate has a molecular weight of 424.47 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate is sourced from PubChem (CID 118326568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).