N-(3-Nitrobenzyl)-6-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-2-(Trifluoromethyl)Pyrido[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C23H21F3N8O2
IUPAC Name n-[(3-nitrophenyl)methyl]-6-[2-(4-piperidyl)-3h-pyrazol-2-ium-3-ylium-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
Molecular Mass 498.460 g·mol−1
Heat of Formation -90.0 ± 16.7 kJ·mol−1
Dipole Moment 7.81 ± 1.08 D
Volume 538.78 Å 3
Surface Area 478.92 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
InChIKey OIYLUARXJZNDPY-UHFFFAOYSA-N
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