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Sonidegib

C26H26F3N3O3CAS 956697-53-3485.51 g/mol

Open in Covalent MOL file
ONHNONOFFF
Alkyl halideEtherTertiary amine

Properties

Molecular formula
C26H26F3N3O3
Molar mass
485.51 g/mol
Exact mass
485.1926 Da
logP
6.21Crippen estimate
Polar surface area
67.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
R, 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
956697-53-3
SMILES
Cc1c(C(O)=Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
InChIKey
VZZJRYRQSPEMTK-CALCHBBNNA-N
InChI
InChI=1/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+

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Names and synonyms

4 names
  • [1,1′-Biphenyl]-3-carboxamide, N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4′-(trifluoromethoxy)-, rel-
  • Rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4′-(trifluoromethoxy)[1,1′-biphenyl]-3-carboxamide
  • NVP-LDE 225
  • LDE 225

Work with Sonidegib

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

Triflumuron64628-44-030 % similar

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

Elsewhere

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