Sotrastaurin

C₂₅H₂₂N₆O₂CAS 425637-18-9438.49 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₂₅H₂₂N₆O₂
Molar mass: 438.49 g/mol
Exact mass: 438.1804 Da
logP: 3.27Crippen estimate
Polar surface area: 97.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Identifiers

CAS number

425637-18-9

SMILES

CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(O)=NC3=O)c3ccccc3n2)CC1

InChIKey

OAVGBZOFDPFGPJ-UHFFFAOYSA-N

InChI

InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)

Weigh it out

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

Names and synonyms

3 names

1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]-
3-(1H-Indol-3-yl)-4-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]-1H-pyrrole-2,5-dione
3-(1H-Indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione

Work with Sotrastaurin

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

Bim-1133052-90-151 % similar Bisindolylmaleimide V113963-68-139 % similar Indole-3-glyoxylic acid1477-49-234 % similar 3-Acetylindole703-80-033 % similar Indole-3-pyruvic acid392-12-132 % similar Ethyl indole-3-carboxylate776-41-032 % similar Enzastaurin170364-57-532 % similar Indole-3-acetic acid87-51-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook