Cobimetinib

C21H21F3IN3O2CAS 934660-93-2531.32 g/mol

Open in Covalent MOL file
OFFNHIFNOHHN
AlcoholAmideAryl halideSecondary amine

Properties

Molecular formula
C21H21F3IN3O2
Molar mass
531.32 g/mol
Exact mass
531.0631 Da
logP
3.78Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

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
934660-93-2
SMILES
O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
InChI
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1

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Names and synonyms

8 names
  • Methanone, [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-(2S)-2-piperidinyl-1-azetidinyl]-
  • [3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-(2S)-2-piperidinyl-1-azetidinyl]methanone
  • XL 518
  • GDC 0973
  • RG 7421
  • [3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
  • RG7421
  • RG-7421

Work with Cobimetinib

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

2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid391211-97-553 % similar N-((2R)-2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide391210-10-945 % similar Pd184352212631-79-343 % similar Gdc-06231168091-68-634 % similar Pimasertib1236699-92-533 % similar 2-Fluoro-4-iodobenzoic acid124700-40-931 % similar Arry-424704, arry-704869357-68-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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