N-[1-(3-Fluorobenzyl)-1H-Indazol-5-Yl]-5-[(1-Piperidinylamino)Methyl]-4,6-Pyrimidinediamine

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Properties Simple | Detailed

Formula C24H27FN8
IUPAC Name n4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(1-piperidylamino)methyl]pyrimidine-4,6-diamine
Molecular Mass 446.523 g·mol−1
Heat of Formation 356.2 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 532.72 Å 3
Surface Area 454.78 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey IMHOFYWDXRUQBM-UHFFFAOYSA-N
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Elements H C F N