1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one

C25H23F3N2O4S — CID 121156181

IUPAC1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C25H23F3N2O4S/c1-16-11-21(13-24(31)30(16)20-7-8-20)34-22-14-29(15-22)35(32,33)23-9-5-17(6-10-23)18-3-2-4-19(12-18)25(26,27)28/h2-6,9-13,20,22H,7-8,14-15H2,1H3
InChIKeyCPVDUIWNVIJMIP-UHFFFAOYSA-N
MW504.53 g/mol
LogP4.63
Rot. Bonds6

About 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one

1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one (PubChem CID 121156181) has the molecular formula C25H23F3N2O4S and a molecular weight of 504.53 g/mol. Its IUPAC name is 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one
PubChem CID121156181
Molecular FormulaC25H23F3N2O4S
Molecular Weight504.53 g/mol
Exact Mass504.13
IUPAC Name1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C25H23F3N2O4S/c1-16-11-21(13-24(31)30(16)20-7-8-20)34-22-14-29(15-22)35(32,33)23-9-5-17(6-10-23)18-3-2-4-19(12-18)25(26,27)28/h2-6,9-13,20,22H,7-8,14-15H2,1H3
InChIKeyCPVDUIWNVIJMIP-UHFFFAOYSA-N
XLogP4.63
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]oxypyran-2-one
CID 121155790
1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
6-methyl-4-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxypyran-2-one
CID 121155728
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121156068
1-[(3S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987995
4-[1-[3-(4-chlorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155758
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398
4-[(3R)-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 99877957
1,6-dimethyl-4-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridin-2-one
CID 99991423
3-[4-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461433
2-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265427
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265561

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one (CID 121156181) is 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one is Cc1cc(OC2CN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one?
The InChIKey is CPVDUIWNVIJMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4S/c1-16-11-21(13-24(31)30(16)20-7-8-20)34-22-14-29(15-22)35(32,33)23-9-5-17(6-10-23)18-3-2-4-19(12-18)25(26,27)28/h2-6,9-13,20,22H,7-8,14-15H2,1H3.
What are the key properties of 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one?
1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one has a molecular weight of 504.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one is sourced from PubChem (CID 121156181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).