N-{[4-({5-[(4-Amino-1-Piperidinyl)Methyl]Pyrrolo[2,1-F][1,2,4]Triazin-4-Yl}Oxy)-3-Fluorophenyl]Carbamoyl}-2-(4-Fluorophenyl)Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C27H27F2N7O3
IUPAC Name n-[[4-[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
Molecular Mass 535.545 g·mol−1
Heat of Formation -370.6 ± 16.7 kJ·mol−1
Dipole Moment 8.40 ± 1.08 D
Volume 607.04 Å 3
Surface Area 522.68 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[4-[5-[(4-amino-1-piperidyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluoro-phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
  • n-[[4-[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluoro-phenyl]carbamoyl]-2-(4-fluorophenyl)ethanamide
  • n-[[[4-[[5-[(4-amino-1-piperidinyl)methyl]-4-pyrrolo[2,1-f][1,2,4]triazinyl]oxy]-3-fluorophenyl]amino]-oxomethyl]-2-(4-fluorophenyl)acetamide
InChIKey YQQFRBUHZZNTGY-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N