Formula |
C22H19FN8O2 |
IUPAC Name |
n-[(1r)-2-(3-cyanoazetidin-1-yl)-1-methyl-2-oxo-ethyl]-2-(6-fluoro-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide |
Molecular Mass |
446.437 g·mol−1 |
Heat of Formation |
174.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.46 ± 1.08 D |
Volume |
506.4 Å 3 |
Surface Area |
432.5 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
1.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AGTYRXOJPORGGM-LLVKDONJSA-N |
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Links |
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Elements |
H
C
N
O
F
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