OMARIGLIPTIN
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Molecular Identity
OMARIGLIPTIN
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
PubChem CID: 46209133
Omarigliptin is a pyrrolopyrazole.
2D Structure
Properties
C17H20F2N4O3S
Molecular Formula
398.40
Molecular Weight
g/mol
398.1224
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
98.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
649
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
OMARIGLIPTIN1226781-44-7MK-3102OmarigliptinaOmarigliptineCVP59Q4JE1DTXSID70153678(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4-c)pyrazol-5(4H)-yl)tetrahydro-,(2R,3S,5R)-omarigliptinum(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo(3,4-c)pyrazol-5-yl)oxan-3-amineRefChem:856762DTXCID1076169(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methanesulfonyl-2H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-5-yl)oxan-3-amineMFCD22573261
Data from PubChem (NCBI)
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