N-Methyl-N-(2-(((2-((2-oxo-2,3-dihydro-1H-indol-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide

C₂₂H₂₁F₃N₆O₃SCAS 717906-29-1506.50 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam Secondary amine Sulfonamide

Properties

Molecular formula: C₂₂H₂₁F₃N₆O₃S
Molar mass: 506.50 g/mol
Exact mass: 506.1348 Da
logP: 3.74Crippen estimate
Polar surface area: 116.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 7

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

717906-29-1

SMILES

CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C

InChIKey

POJZIZBONPAWIV-UHFFFAOYSA-N

InChI

InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)

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Names and synonyms

1 names

N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

Work with N-Methyl-N-(2-(((2-((2-oxo-2,3-dihydro-1H-indol-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide

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

Pf-562271717907-75-082 % similar 5-(Trifluoromethyl)oxindole71293-62-436 % similar Rociletinib1374640-70-632 % similar Gne 79151351761-44-831 % similar 6-Trifluoromethyloxindole1735-89-330 % similar

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

Elsewhere

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