5-Methyl-4-[(2-Methyl-5-{[3-(4-Morpholinyl)Benzoyl]Amino}Phenyl)Amino]-N-[(1S)-1-Phenylethyl]Pyrrolo[2,1-F][1,2,4]Triazine-6-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C34H35N7O3
IUPAC Name 5-methyl-4-[[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]amino]-n-[(1s)-1-phenylethyl]pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
Molecular Mass 589.687 g·mol−1
Heat of Formation 65.7 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 700.52 Å 3
Surface Area 606.21 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methyl-4-[[2-methyl-5-[(3-morpholin-4-ylphenyl)carbonylamino]phenyl]amino]-n-[(1s)-1-phenylethyl]pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
  • 5-methyl-4-[[2-methyl-5-[(3-morpholinobenzoyl)amino]phenyl]amino]-n-[(1s)-1-phenylethyl]pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
  • 5-methyl-4-[[2-methyl-5-[[(3-morpholinophenyl)-oxomethyl]amino]phenyl]amino]-n-[(1s)-1-phenylethyl]-6-pyrrolo[5,1-f][1,2,4]triazinecarboxamide
InChIKey KYFKCMGDXJZZIZ-DEOSSOPVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N