5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one

C19H19F5N2O2 — CID 171825722

IUPAC5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(Cn2cc(CCN3CC(F)(F)C3)c(C(F)(F)F)cc2=O)cc1
InChIInChI=1S/C19H19F5N2O2/c1-28-15-4-2-13(3-5-15)9-26-10-14(6-7-25-11-18(20,21)12-25)16(8-17(26)27)19(22,23)24/h2-5,8,10H,6-7,9,11-12H2,1H3
InChIKeyZPZSZAZQKQDMDG-UHFFFAOYSA-N
MW402.36 g/mol
LogP3.42
Rot. Bonds6

About 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one

5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 171825722) has the molecular formula C19H19F5N2O2 and a molecular weight of 402.36 g/mol. Its IUPAC name is 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID171825722
Molecular FormulaC19H19F5N2O2
Molecular Weight402.36 g/mol
Exact Mass402.14
IUPAC Name5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(Cn2cc(CCN3CC(F)(F)C3)c(C(F)(F)F)cc2=O)cc1
InChIInChI=1S/C19H19F5N2O2/c1-28-15-4-2-13(3-5-15)9-26-10-14(6-7-25-11-18(20,21)12-25)16(8-17(26)27)19(22,23)24/h2-5,8,10H,6-7,9,11-12H2,1H3
InChIKeyZPZSZAZQKQDMDG-UHFFFAOYSA-N
XLogP3.42
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
CID 55237705
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-3,3-difluoropiperidine
CID 171934527
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225065
1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione
CID 154709853
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850
1-benzyl-5-[(5-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156915

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one (CID 171825722) is 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one is COc1ccc(Cn2cc(CCN3CC(F)(F)C3)c(C(F)(F)F)cc2=O)cc1.
What is the InChIKey of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZPZSZAZQKQDMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N2O2/c1-28-15-4-2-13(3-5-15)9-26-10-14(6-7-25-11-18(20,21)12-25)16(8-17(26)27)19(22,23)24/h2-5,8,10H,6-7,9,11-12H2,1H3.
What are the key properties of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one?
5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 402.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 171825722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).