2-Fluoro-6-[(2-{[4-(4-Isopropyl-1-Piperazinyl)-2-Methoxyphenyl]Amino}-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Amino]Benzamide

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Properties Simple | Detailed

Formula C27H31FN8O2
IUPAC Name 2-fluoro-6-[[2-[4-(4-isopropylpiperazin-1-yl)-2-methoxy-anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
Molecular Mass 518.586 g·mol−1
Heat of Formation -73.3 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 603.91 Å 3
Surface Area 525.59 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey HXZDICYKFAOZLE-UHFFFAOYSA-N
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