Formula |
C19H22N8S |
IUPAC Name |
3-methyl-n-[3-(1-methylpyrazol-4-yl)-5-[(3r)-3-piperidyl]pyrazolo[1,5-a]pyrimidin-7-yl]isothiazol-5-amine |
Molecular Mass |
394.497 g·mol−1 |
Heat of Formation |
647.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.33 ± 1.08 D |
Volume |
458.72 Å 3 |
Surface Area |
406.01 Å 2 |
HOMO Energy |
-8.15 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GZPYWHILDNLCNY-CYBMUJFWSA-N |
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Elements |
H
S
C
N
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