Pevonedistat

C₂₁H₂₅N₅O₄SCAS 905579-51-3443.52 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₂₁H₂₅N₅O₄S
Molar mass: 443.52 g/mol
Exact mass: 443.1627 Da
logP: 2.06Crippen estimate
Polar surface area: 132.4 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 6
Stereocentres: S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

905579-51-3

SMILES

NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O

InChIKey

MPUQHZXIXSTTDU-QXGSTGNESA-N

InChI

InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Sulfamic acid, [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl ester
MLN 4924

Work with Pevonedistat

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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