5-Methyl-4-{[2-Methyl-5-(1,2-Oxazol-3-Ylcarbamoyl)Phenyl]Amino}-N-Propylpyrrolo[2,1-F][1,2,4]Triazine-6-Carboxamide

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Formula C22H23N7O3
IUPAC Name 4-[5-(isoxazol-3-ylcarbamoyl)-2-methyl-anilino]-5-methyl-n-propyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Molecular Mass 433.463 g·mol−1
Heat of Formation 90.3 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 503.67 Å 3
Surface Area 451.98 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[5-(isoxazol-3-ylcarbamoyl)-2-methyl-phenyl]amino]-5-methyl-n-propyl-pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
  • 4-[[5-[(3-isoxazolylamino)-oxomethyl]-2-methylphenyl]amino]-5-methyl-n-propyl-6-pyrrolo[5,1-f][1,2,4]triazinecarboxamide
  • 5-methyl-4-[[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]amino]-n-propyl-pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
InChIKey MCTUUCHJENITIK-UHFFFAOYSA-N
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