Gemigliptin

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Formula C18H19F8N5O2
IUPAC Name 1-[(2s)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-7-yl]-4-oxo-butyl]-5,5-difluoro-piperidin-2-one
Molecular Mass 489.363 g·mol−1
Heat of Formation -1964.3 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 496.74 Å 3
Surface Area 369.18 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5h-pyrido[4,3-e]pyrimidin-7-yl]-4-keto-butyl]-5,5-difluoro-2-piperidone
  • 1-[(2s)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5h-pyrido[4,3-e]pyrimidin-7-yl]-4-oxo-butyl]-5,5-difluoro-piperidin-2-one
  • 1-[(2s)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5h-pyrido[4,3-e]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoro-2-piperidinone
  • 1-[(2s)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5h-pyrido[4,3-e]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
InChIKey ZWPRRQZNBDYKLH-VIFPVBQESA-N
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