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

C26H29FN2O3 — CID 45487366

IUPAC4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C26H29FN2O3/c27-23-9-7-21(8-10-23)20-32-25-11-15-29(26(30)18-25)19-22-5-3-6-24(17-22)31-16-4-14-28-12-1-2-13-28/h3,5-11,15,17-18H,1-2,4,12-14,16,19-20H2
InChIKeyGEFGDHCYHBZWCS-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.48
Rot. Bonds10

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

4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one (PubChem CID 45487366) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one
PubChem CID45487366
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C26H29FN2O3/c27-23-9-7-21(8-10-23)20-32-25-11-15-29(26(30)18-25)19-22-5-3-6-24(17-22)31-16-4-14-28-12-1-2-13-28/h3,5-11,15,17-18H,1-2,4,12-14,16,19-20H2
InChIKeyGEFGDHCYHBZWCS-UHFFFAOYSA-N
XLogP4.48
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-(Benzyloxy)benzylidene)-3-(4-fluorobenzyl)thiazolidine-2,4-dione
CID 2298925
TC-MCH 7c
CID 11654412
4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)phenethyl)pyridin-2(1H)-one
CID 45487372
4-[(2-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53317305
4-[(3-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53317306
(E)-1-(4-benzylpiperazino)-3-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
CID 5905781
4-(4-fluorobenzyloxy)-1-(3-(2-(pyrrolidin-1-yl)ethoxy)benzyl)pyridin-2(1H)-one
CID 45487330
3-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan-5-yliden]-methyl}phenoxy)methyl]benzeneboronic Acid
CID 46853943
4-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan-5-yliden]-methyl}phenoxy)methyl]benzeneboronic Acid
CID 46853944
4-[2-(4-Fluorophenyl)ethoxy]-1-{4-[2-(pyrrolidin-1-yl)-ethoxy]phenyl}pyridin-2(1H)-one
CID 53317524
1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 57390580
1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 57393208

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one (CID 45487366) is 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one?
The InChIKey is GEFGDHCYHBZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3/c27-23-9-7-21(8-10-23)20-32-25-11-15-29(26(30)18-25)19-22-5-3-6-24(17-22)31-16-4-14-28-12-1-2-13-28/h3,5-11,15,17-18H,1-2,4,12-14,16,19-20H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one has a molecular weight of 436.53 g/mol, XLogP of 4.48, 10 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-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 45487366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).