1-(3-Amino-1,2-Benzoxazol-5-Yl)-6-(2'-{[(3R)-3-Hydroxy-1-Pyrrolidinyl]Methyl}-4-Biphenylyl)-3-(Trifluoromethyl)-1,4,5,6-Tetrahydro-7H-Pyrazolo[3,4-C]Pyridin-7-One

Molecule SVG Image

Properties Simple | Detailed

Formula C31H27F3N6O3
IUPAC Name 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(1s,3r)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
Molecular Mass 588.580 g·mol−1
Heat of Formation -408.2 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 653.52 Å 3
Surface Area 520.58 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3r)-3-hydroxy-1-pyrrolidinyl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3r)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
  • 1-(3-aminoindoxazen-5-yl)-6-[4-[2-[[(3r)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
  • 5qc
  • bms-740808
InChIKey DFRIQJHMGZBFOM-JOCHJYFZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N