(3S)-3-Morpholinylmethyl (4-{[1-(3-Fluorobenzyl)-1H-Indazol-5-Yl]Amino}-5-Methylpyrrolo[2,1-F][1,2,4]Triazin-6-Yl)Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H27FN8O3
IUPAC Name [(3s)-morpholin-3-yl]methyl n-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
Molecular Mass 530.553 g·mol−1
Heat of Formation 1715.5 ± 16.7 kJ·mol−1
Dipole Moment 18.74 ± 1.08 D
Volume 590.73 Å 3
Surface Area 522.84 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -3.81 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-morpholin-3-yl]methyl n-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methyl-pyrrolo[5,1-f][1,2,4]triazin-6-yl]carbamate
  • n-[4-[[1-(3-fluorobenzyl)indazol-5-yl]amino]-5-methyl-pyrrolo[5,1-f][1,2,4]triazin-6-yl]carbamic acid [(3s)-morpholin-3-yl]methyl ester
  • n-[4-[[1-[(3-fluorophenyl)methyl]-5-indazolyl]amino]-5-methyl-6-pyrrolo[5,1-f][1,2,4]triazinyl]carbamic acid [(3s)-3-morpholinyl]methyl ester
InChIKey LUJZZYWHBDHDQX-QFIPXVFZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F