N-{2,2-Difluoro-2-[(2R)-2-Piperidinyl]Ethyl}-2-[2-(1H-1,2,4-Triazol-1-Yl)Benzyl][1,3]Oxazolo[4,5-C]Pyridin-4-Amine

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Properties Simple | Detailed

Formula C22H23F2N7O
IUPAC Name 2-[[2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)phenyl]methyl]-n-[2,2-difluoro-2-[(2r)-2-piperidyl]ethyl]oxazolo[4,5-c]pyridin-4-amine
Molecular Mass 439.461 g·mol−1
Heat of Formation -24.8 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 498.48 Å 3
Surface Area 428.64 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine
  • [2,2-difluoro-2-[(2r)-2-piperidyl]ethyl]-[2-[2-(1,2,4-triazol-1-yl)benzyl]oxazolo[4,5-c]pyridin-4-yl]amine
  • n-[2,2-difluoro-2-[(2r)-2-piperidinyl]ethyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-4-oxazolo[4,5-c]pyridinamine
  • n-[2,2-difluoro-2-[(2r)-2-piperidyl]ethyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]oxazolo[4,5-c]pyridin-4-amine
  • n-[2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
  • n-{2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}-2-[2-(1h-1,2,4-triazol-1-yl)benzyl][1,3]oxazolo[4,5-c]pyridin-4-amine
InChIKey VYJOAYZRCNHDNG-GOSISDBHSA-N
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