PF-00446687
[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone
Molecular Identity
PF-00446687
[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone
PubChem CID: 11328898
2D Structure
Properties
C28H36F2N2O2
Molecular Formula
470.60
Molecular Weight
g/mol
470.2745
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
43.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
708
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
PF-00446687862281-92-3UNII-63P236Z73I(-)-PF-0044668763P236Z73ICHEMBL1090488Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone4-Piperidinol, 1-(((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)carbonyl)-3,5-dimethyl-4-phenyl-, (3alpha,4alpha,5alpha)-((3S,4R)-1-(tert-Butyl)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanoneorb1708898SCHEMBL1921717SCHEMBL1921719SCHEMBL13525566
Data from PubChem (NCBI)
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