3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one

C21H19F3N2O4S — CID 67398857

IUPAC3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](C=C(c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C21H19F3N2O4S/c22-21(23,24)31(29,30)15-6-3-13(4-7-15)17(11-14-5-10-19(27)25-14)18-9-8-16(12-1-2-12)20(28)26-18/h3-4,6-9,11-12,14H,1-2,5,10H2,(H,25,27)(H,26,28)/t14-/m1/s1
InChIKeyXZWYUBWUURTJGL-CQSZACIVSA-N
MW452.45 g/mol
LogP3.26
Rot. Bonds5

About 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one

3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 67398857) has the molecular formula C21H19F3N2O4S and a molecular weight of 452.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID67398857
Molecular FormulaC21H19F3N2O4S
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Name3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](C=C(c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C21H19F3N2O4S/c22-21(23,24)31(29,30)15-6-3-13(4-7-15)17(11-14-5-10-19(27)25-14)18-9-8-16(12-1-2-12)20(28)26-18/h3-4,6-9,11-12,14H,1-2,5,10H2,(H,25,27)(H,26,28)/t14-/m1/s1
InChIKeyXZWYUBWUURTJGL-CQSZACIVSA-N
XLogP3.26
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-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

3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
3-cyclopropyl-6-[(Z)-1-(3,4-difluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399056
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400265
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
CID 67398478
3-cyclopropyl-6-[(E)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452327
6-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400078
3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452771
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
3-cyclopropyl-6-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452371
3-cyclopropyl-6-[1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400339
3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67398416
3-cyclopropyl-6-[(Z)-1-(4-methylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-1H-pyridin-2-one
CID 67399450

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one (CID 67398857) is 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](C=C(c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1.
What is the InChIKey of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is XZWYUBWUURTJGL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19F3N2O4S/c22-21(23,24)31(29,30)15-6-3-13(4-7-15)17(11-14-5-10-19(27)25-14)18-9-8-16(12-1-2-12)20(28)26-18/h3-4,6-9,11-12,14H,1-2,5,10H2,(H,25,27)(H,26,28)/t14-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 452.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67398857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).