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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H22ClN7O
IUPAC Name n-[[(1s,3s)-1-[6-chloro-2-(2,5-dimethyl-3h-pyrazol-2-ium-3-ylium-4-yl)imidazo[4,5-b]pyridin-3-ium-6-id-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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl