Pevonedistat

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Formula C21H28N5O4S
IUPAC Name [(1s,2s,4r)-4-[4-[[(1s)-2,3-dihydro-1h-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate
Molecular Mass 446.543 g·mol−1
Heat of Formation -426.3 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 499.64 Å 3
Surface Area 430.63 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2s,4r)-2-hydroxy-4-[4-[[(1s)-indan-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]methyl sulfamate
  • [(1s,2s,4r)-4-[4-[[(1s)-2,3-dihydro-1h-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-cyclopentyl]methyl sulfamate
  • sulfamic acid [(1s,2s,4r)-2-hydroxy-4-[4-[[(1s)-1-indanyl]amino]-7-pyrrolo[2,3-d]pyrimidinyl]cyclopentyl]methyl ester
  • sulfamic acid [(1s,2s,4r)-2-hydroxy-4-[4-[[(1s)-indan-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]methyl ester
InChIKey MPUQHZXIXSTTDU-QXGSTGNESA-N
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