Formula |
C18H22ClN7O |
IUPAC Name |
n-[[(3s)-1-[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]pyrrolidin-3-yl]methyl]acetamide |
Molecular Mass |
387.867 g·mol−1 |
Heat of Formation |
170.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.00 ± 1.08 D |
Volume |
446.13 Å 3 |
Surface Area |
391.74 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
2.16 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KLKOJHYRAITDCX-LBPRGKRZSA-N |
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Elements |
H
C
N
O
Cl
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