Cofrogliptin
(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
Molecular Identity
Cofrogliptin
(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
PubChem CID: 118613788
2D Structure
Properties
C18H19F5N4O3S
Molecular Formula
466.40
Molecular Weight
g/mol
466.1098
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
98.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
766
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)N1C=C2CN(CC2=N1)C3CC(C(OC3C(F)(F)F)C4=C(C=CC(=C4)F)F)NIsomeric SMILES
SMILES: CS(=O)(=O)N1C=C2CN(CC2=N1)[C@@H]3C[C@@H]([C@H](O[C@@H]3C(F)(F)F)C4=C(C=CC(=C4)F)F)NSynonyms(20)
Cofrogliptin1844874-26-5Haisco HSK 7653LH4G6K6NKPRefChem:1082107Cofrogliptin [INN]HSK-7653CHEMBL4646510(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amineCofrogliptinaCofrogliptine(2R,3S,5R,6S)-2-(2,5-Difluorophenyl)-5-(2- (methanesulfonyl)-2,6-dihydropyrrolo(3,4-C)pyrazol- 5(4H)-yl)-6-(trifluoromethyl)oxan-3-amine(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2- (methanesulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol- 5(4H)-yl]-6-(trifluoromethyl)oxan-3-amine(6R)-5-Amino-2,6-anhydro-1,3,4,5-tetradeoxy-6-C-(2,5-difluorophenyl)-3-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4-C)pyrazol-5(4H)-yl)-1,1,1-trifluoro-D-arabino-hexitol(6R)-5-Amino-2,6-anhydro-1,3,4,5-tetradeoxy-6-C-(2,5-difluorophenyl)-3-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]-1,1,1-trifluoro-D-arabino-hexitol
Data from PubChem (NCBI)
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