[(2S)-2-{4-[(5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino]Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl}-1-Pyrrolidinyl](6-Fluoro-3-Pyridinyl)Methanone
Properties
Property | Value |
---|---|
Formula | C22H21FN8O |
IUPAC Name | [(2s)-2-[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-1-yl]-(6-fluoropyridin-3-yl)methanone |
Molecular Mass | 432.454 g·mol−1 |
Heat of Formation | 405.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.43 ± 1.08 D |
Volume | 495.72 Å 3 |
Surface Area | 430.65 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | -0.73 ± eV |
Point Group Symmetry | C1 |
InChIKey | XXGADWBTSMHVDF-INIZCTEOSA-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 |