N-(3-{[(5-Cyano-2-Phenyl-1H-Pyrrolo[2,3-B]Pyridin-4-Yl)Amino]Methyl}-2-Pyridinyl)-N-Methylmethanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H20N6O2S
IUPAC Name n-[3-[[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridyl]-n-methyl-methanesulfonamide
Molecular Mass 432.498 g·mol−1
Heat of Formation 201.0 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 492.56 Å 3
Surface Area 414.58 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
InChIKey IFWXGGDEGREJOB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N