2-(1,1-Difluoro-2-{(Z)-[4-(2-{[(3-Fluoro-4-Methyl-2-Pyridinyl)Methyl]Amino}-2-Oxoethyl)-5-Methyl-3-Oxo-3,4-Dihydro-2(1H)-Pyrazinylidene]Ammonio}Ethyl)Pyridinium

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26F3N6O2
IUPAC Name 2-[3-[[2,2-difluoro-2-(1h-pyridin-1-ium-2-id-2-yl)ethyl]amino]-6-methyl-2-oxo-pyrazin-4-ium-6-id-1-yl]-n-[(5-fluoro-4-methyl-3h-pyridin-1-ium-3-id-6-yl)methyl]acetamide
Molecular Mass 451.465 g·mol−1
Heat of Formation -600.2 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 496.78 Å 3
Surface Area 428.56 Å 2
HOMO Energy -7.63 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-keto-ethyl]-3-keto-5-methyl-1h-pyrazin-2-ylidene]ammonium
  • (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-oxo-ethyl]-5-methyl-3-oxo-1h-pyrazin-2-ylidene]ammonium
  • (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-pyridin-2-yl)methylamino]-2-oxo-ethyl]-5-methyl-3-oxo-1h-pyrazin-2-ylidene]azanium
  • 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide
  • [2,2-difluoro-2-(2-pyridin-1-iumyl)ethyl]-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-oxoethyl]-5-methyl-3-oxo-1h-pyrazin-2-ylidene]ammonium
  • cdb
InChIKey WOYBPRBUPLYTPY-UHFFFAOYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N