Pf-562271

C₂₁H₂₀F₃N₇O₃SCAS 717907-75-0507.49 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam Secondary amine Sulfonamide

Properties

Molecular formula: C₂₁H₂₀F₃N₇O₃S
Molar mass: 507.49 g/mol
Exact mass: 507.1300 Da
logP: 3.14Crippen estimate
Polar surface area: 129.2 Å²
H-bond donors / acceptors: 3 / 8
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

717907-75-0

SMILES

CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C

InChIKey

MZDKLVOWGIOKTN-UHFFFAOYSA-N

InChI

InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)

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Work with Pf-562271

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

N-Methyl-N-(2-(((2-((2-oxo-2,3-dihydro-1H-indol-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide717906-29-182 % similar 5-(Trifluoromethyl)oxindole71293-62-435 % similar Rociletinib1374640-70-632 % similar Gne 79151351761-44-830 % similar

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

Elsewhere

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