1-Cyclopentyl-6-[(1R)-1-(3-Phenoxy-1-Azetidinyl)Ethyl]-1,5-Dihydro-4H-Pyrazolo[3,4-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C21H26N5O2
IUPAC Name 1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-5h-pyrazolo[3,4-d]pyrimidin-7-ium-3a-id-4-one
Molecular Mass 380.463 g·mol−1
Heat of Formation 56.0 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 458.6 Å 3
Surface Area 399.48 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey KKFKLLKJGDFZBA-CQSZACIVSA-N
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