N-[5-(2-Fluorophenyl)-1H-Pyrrolo[2,3-B]Pyridin-3-Yl]-5-({[(3R,4R)-3-Fluoro-4-Piperidinyl]Methyl}Amino)Pyrazolo[1,5-A]Pyrimidine-3-Carboxamide

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Properties Simple | Detailed

Formula C26H26F2N8O
IUPAC Name n-[5-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-1,7-diium-3-ylium-5-id-3-yl]-5-[[(3r,4r)-3-fluoro-4-piperidyl]methylamino]pyrazolo[1,5-a]pyrimidin-4-ium-3-ide-3-carboxamide
Molecular Mass 504.534 g·mol−1
Heat of Formation 41.5 ± 16.7 kJ·mol−1
Dipole Moment 11.71 ± 1.08 D
Volume 573.33 Å 3
Surface Area 439.15 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey BEXSRDRFSVXXPU-VFNWGFHPSA-N
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