Bisindolylmaleimide V

C21H15N3O2CAS 113963-68-1341.37 g/mol

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NONHNHO
AlkeneAmideLactam

Properties

Molecular formula
C21H15N3O2
Molar mass
341.37 g/mol
Exact mass
341.1164 Da
Melting point
above 260 °C
logP
3.56Crippen estimate
Polar surface area
69.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
113963-68-1
SMILES
CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIKey
SWAWYMIKGOHZMR-UHFFFAOYSA-N
InChI
InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3

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Names and synonyms

10 names
  • 1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-1-methyl-
  • 3,4-Di-1H-indol-3-yl-1-methyl-1H-pyrrole-2,5-dione
  • 1-Methyl-3,4-bis(indol-3-yl)maleimide
  • Ro 31-6045
  • N-Methylbis(indol-3-yl)maleimide
  • N-Methyl-3,4-bis(indol-3-yl)maleimide
  • 3,4-Di(1H-indol-3-yl)-1-methyl-1H-pyrrole-2,5-dione
  • Methylarcyriarubin
  • Methylarcyriarubin A
  • 3,4-Bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione

Work with Bisindolylmaleimide V

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

Similar compounds

3-Acetylindole703-80-055 % similar Indole-3-carboxylic acid771-50-651 % similar Methyl indole-3-carboxylate942-24-551 % similar Methyl indolyl-3-glyoxylate18372-22-048 % similar Ethyl indole-3-carboxylate776-41-048 % similar 1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone895152-66-648 % similar 3-(Trifluoroacetyl)indole14618-45-248 % similar Indole-3-glyoxylic acid1477-49-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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