4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one

C26H29FN2O4 — CID 143099785

IUPAC4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one
SMILESCOC1=CCC(n2ccc(OCc3ccc(F)cc3)cc2=O)=CC=C1OCCN1CCCC1
InChIInChI=1S/C26H29FN2O4/c1-31-24-10-8-22(9-11-25(24)32-17-16-28-13-2-3-14-28)29-15-12-23(18-26(29)30)33-19-20-4-6-21(27)7-5-20/h4-7,9-12,15,18H,2-3,8,13-14,16-17,19H2,1H3
InChIKeyOWVJOMCJKSOCAU-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.34
Rot. Bonds9

About 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one (PubChem CID 143099785) has the molecular formula C26H29FN2O4 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one
PubChem CID143099785
Molecular FormulaC26H29FN2O4
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one
SMILESCOC1=CCC(n2ccc(OCc3ccc(F)cc3)cc2=O)=CC=C1OCCN1CCCC1
InChIInChI=1S/C26H29FN2O4/c1-31-24-10-8-22(9-11-25(24)32-17-16-28-13-2-3-14-28)29-15-12-23(18-26(29)30)33-19-20-4-6-21(27)7-5-20/h4-7,9-12,15,18H,2-3,8,13-14,16-17,19H2,1H3
InChIKeyOWVJOMCJKSOCAU-UHFFFAOYSA-N
XLogP4.34
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one with MolForge

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Related Compounds

5-[(2-fluorobenzyl)oxy]-2-(pyrrolidin-1-ylcarbonyl)-4H-pyran-4-one
CID 49656174
5-[(2-Fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
CID 16852721
5-((4-fluorobenzyl)oxy)-2-(pyrrolidine-1-carbonyl)-4H-pyran-4-one
CID 42227166
5-[(3-Fluorophenyl)methoxy]-2-[[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepan-1-yl]methyl]pyran-4-one
CID 132463743
1-Cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
CID 11382435
methyl (E)-4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]but-2-enoate
CID 22050351
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 22050927
1-allyl-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051008
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 22051069
[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-prop-2-enyl-2-pyridinyl]methyl acetate
CID 60027406
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(E)-4-morpholin-4-yl-4-oxobut-2-enyl]pyridin-2-one
CID 60027407
4-[(4-Fluorophenyl)methoxy]-1-[2-[4-(2-pyrrolidin-1-ylethyl)phenyl]ethyl]pyridin-2-one
CID 68425351

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one (CID 143099785) is 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one is COC1=CCC(n2ccc(OCc3ccc(F)cc3)cc2=O)=CC=C1OCCN1CCCC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one?
The InChIKey is OWVJOMCJKSOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4/c1-31-24-10-8-22(9-11-25(24)32-17-16-28-13-2-3-14-28)29-15-12-23(18-26(29)30)33-19-20-4-6-21(27)7-5-20/h4-7,9-12,15,18H,2-3,8,13-14,16-17,19H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one has a molecular weight of 452.53 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one is sourced from PubChem (CID 143099785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).