1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one

C25H25F3N2O3 — CID 58964977

IUPAC1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
SMILESO=c1cc(COc2ccc(C(F)(F)F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H25F3N2O3/c26-25(27,28)20-3-7-23(8-4-20)33-18-19-11-14-30(24(31)17-19)21-5-9-22(10-6-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2
InChIKeyOLZPWQRZYOTOQD-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.91
Rot. Bonds8

About 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one

1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one (PubChem CID 58964977) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
PubChem CID58964977
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
SMILESO=c1cc(COc2ccc(C(F)(F)F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H25F3N2O3/c26-25(27,28)20-3-7-23(8-4-20)33-18-19-11-14-30(24(31)17-19)21-5-9-22(10-6-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2
InChIKeyOLZPWQRZYOTOQD-UHFFFAOYSA-N
XLogP4.91
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-yl)-ethoxy]phenyl}pyridin-2(1H)-one
CID 53317307
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320
4-benzyloxy-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1H-pyridin-2-one
CID 11502008
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625
4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}-pyridin-2(1H)-one
CID 11596311
TC-MCH 7c
CID 11654412
4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 11676220
4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11689582
4-(3,5-Difluorobenzoyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
CID 15987451
4-(2,4-Difluorobenzoyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
CID 15987452

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
The IUPAC name of 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one (CID 58964977) is 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
The canonical SMILES for 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one is O=c1cc(COc2ccc(C(F)(F)F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
The InChIKey is OLZPWQRZYOTOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c26-25(27,28)20-3-7-23(8-4-20)33-18-19-11-14-30(24(31)17-19)21-5-9-22(10-6-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2.
What are the key properties of 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one has a molecular weight of 458.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one is sourced from PubChem (CID 58964977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).