chempirical

Selumetinib

C17H15BrClFN4O3CAS 606143-52-6457.68 g/mol

Open in Covalent MOL file
NNFNHBrClOHNOHO
AlcoholAryl halideOximeSecondary amine

Properties

Molecular formula
C17H15BrClFN4O3
Molar mass
457.68 g/mol
Exact mass
456.0000 Da
logP
4.10Crippen estimate
Polar surface area
91.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6

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
606143-52-6
SMILES
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(O)=NOCCO)cc21
InChIKey
CYOHGALHFOKKQC-UHFFFAOYSA-N
InChI
InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)

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Names and synonyms

10 names
  • 1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-
  • 5-[(4-Bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide
  • ARRY 142886
  • AZD 6244
  • NSC 741O78
  • G 00039805
  • 6-(4-Bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
  • Koselugo
  • AZD6244
  • AZD-6244

Work with Selumetinib

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

ARRY 438162606143-89-984 % similar Methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate918321-20-733 % similar 5-Bromo-1-methyl-1H-1,3-benzodiazole53484-15-431 % similar N-((2R)-2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide391210-10-931 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook