[(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

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Properties Simple | Detailed

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
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