N-({(3S)-1-[6-Chloro-2-(1,3-Dimethyl-1H-Pyrazol-4-Yl)-1H-Imidazo[4,5-B]Pyridin-7-Yl]-3-Pyrrolidinyl}Methyl)Acetamide

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Properties Simple | Detailed

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