Ethyl 4-[(2R)-2-(Aminomethyl)-4-Morpholinyl]-3-(3-Cyanophenyl)-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylate

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Formula C21H22N6O3
IUPAC Name ethyl 4-[(2r,4s)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)pyrazolo[3,4-b]pyridine-5-carboxylate
Molecular Mass 406.438 g·mol−1
Heat of Formation 3.3 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 476.52 Å 3
Surface Area 380.1 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
InChIKey XEAFNJRJCDEJPR-OAHLLOKOSA-N
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