4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one

C25H27FN2O3 — CID 45487330

IUPAC4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C25H27FN2O3/c26-22-8-6-20(7-9-22)19-31-24-10-13-28(25(29)17-24)18-21-4-3-5-23(16-21)30-15-14-27-11-1-2-12-27/h3-10,13,16-17H,1-2,11-12,14-15,18-19H2
InChIKeyOSPOQVAMMNQZQR-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.09
Rot. Bonds9

About 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one (PubChem CID 45487330) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one
PubChem CID45487330
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C25H27FN2O3/c26-22-8-6-20(7-9-22)19-31-24-10-13-28(25(29)17-24)18-21-4-3-5-23(16-21)30-15-14-27-11-1-2-12-27/h3-10,13,16-17H,1-2,11-12,14-15,18-19H2
InChIKeyOSPOQVAMMNQZQR-UHFFFAOYSA-N
XLogP4.09
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one (CID 45487330) is 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one?
The InChIKey is OSPOQVAMMNQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c26-22-8-6-20(7-9-22)19-31-24-10-13-28(25(29)17-24)18-21-4-3-5-23(16-21)30-15-14-27-11-1-2-12-27/h3-10,13,16-17H,1-2,11-12,14-15,18-19H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one has a molecular weight of 422.50 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 45487330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).