(3Ar)-5-[2-Methylalanyl-O-(2,4-Difluorobenzyl)-D-Seryl]-3-Oxo-3A-(2-Pyridinylmethyl)-2-(2,2,2-Trifluoroethyl)-3,3A,4,5,6,7-Hexahydro-2H-Pyrazolo[4,3-C]Pyridine

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Properties Simple | Detailed

Formula C28H31F5N6O4
IUPAC Name 2-amino-n-[(1r)-2-[(3ar)-3-oxo-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-1-(hydroxymethyl)-2-oxo-ethyl]acetamide difluoride
Molecular Mass 610.576 g·mol−1
Heat of Formation -1444.6 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 678.93 Å 3
Surface Area 466.41 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-n-[(1r)-2-[(3ar)-3-oxo-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-1-[(2,4-difluorophenyl)methoxymethyl]-2-oxo-ethyl]-2-methyl-propanamide
  • 2-amino-n-[(1r)-2-[(3ar)-3-oxo-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-1-[(2,4-difluorophenyl)methoxymethyl]-2-oxoethyl]-2-methylpropanamide
  • 2-amino-n-[(2r)-1-[(3ar)-3-oxo-3a-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-3-[(2,4-difluorophenyl)methoxy]-1-oxo-propan-2-yl]-2-methyl-propanamide
  • 2-amino-n-[(2r)-1-[(3ar)-3-oxo-3a-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-3-[(2,4-difluorophenyl)methoxy]-1-oxopropan-2-yl]-2-methylpropanamide
  • n-[(1r)-2-[(3ar)-3-keto-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-1-[(2,4-difluorobenzyl)oxymethyl]-2-keto-ethyl]-2-amino-2-methyl-propionamide
InChIKey QUAJHCSLZMRTTM-JIPXPUAJSA-N
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