Gemigliptin
1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
Molecular Identity
Gemigliptin
1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
PubChem CID: 11953153
Gemigliptin is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
2D Structure
Properties
C18H19F8N5O2
Molecular Formula
489.40
Molecular Weight
g/mol
489.1411
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
92.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
13
H-Bond Acceptors
746
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CN(C1=O)CC(CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C(F)(F)F)N)(F)FIsomeric SMILES
SMILES: C1CC(CN(C1=O)C[C@H](CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C(F)(F)F)N)(F)FSynonyms(20)
Gemigliptin911637-19-9GemigliptinaGemigliptine5DHU18M5D6LC-15-0444LC-150444DTXSID5010301502-Piperidinone, 1-((2S)-2-amino-4-(5,8-dihydro-2,4-bis(trifluoromethyl)pyrido(3,4-d)pyrimidin-7(6H)-yl)-4-oxobutyl)-5,5-difluoro-Pyrido(3,4-d)pyrimidine, 7-((3S)-3-amino-4-(5,5-difluoro-2-oxo-1-piperidinyl)-1-oxobutyl)-5,6,7,8-tetrahydro-2,4-bis(trifluoromethyl)-1-((2S)-2-Amino-4-(2,4-bis(trifluoromethyl)-5,8-dihydropyrido(3,4-d)pyrimidin-7(6H)-yl)-4-oxobutyl-5,5-difluoropiperidin-2-onegemigliptinumRefChem:639808A10BH06DTXCID001515258
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gemigliptin
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