Formula |
C22H30N8O2 |
IUPAC Name |
tert-butyl n-[(3r,6s)-1-[2-amino-6-(3-amino-1h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-3-piperidyl]carbamate |
Molecular Mass |
438.526 g·mol−1 |
Heat of Formation |
-76.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.76 ± 1.08 D |
Volume |
523.59 Å 3 |
Surface Area |
466.08 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
2.47 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GAMJJHMLLXIWRZ-GXTWGEPZSA-N |
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Elements |
H
C
O
N
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