N-Cyclopropyl-3-{[1-(2,4-Difluorophenyl)-7-Methyl-6-Oxo-6,7-Dihydro-1H-Pyrazolo[3,4-B]Pyridin-4-Yl]Amino}-4-Methylbenzamide

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Properties Simple | Detailed

Formula C24H27F2N5O2
IUPAC Name n-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxo-3,5-dihydropyrazolo[3,4-b]pyridine-2,3,3a,4,5,7a-hexaid-4-yl]amino]-4-methyl-benzamide
Molecular Mass 455.500 g·mol−1
Heat of Formation -180.5 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 516.11 Å 3
Surface Area 431.83 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey WMEYCLAVMZKZCS-UHFFFAOYSA-N
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