Blu-285

C₂₆H₂₇FN₁₀CAS 1703793-34-3498.57 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Tertiary amine

Properties

Molecular formula: C₂₆H₂₇FN₁₀
Molar mass: 498.57 g/mol
Exact mass: 498.2404 Da
logP: 2.61Crippen estimate
Polar surface area: 106.3 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 5
Stereocentres: 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

1703793-34-3

SMILES

C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N

InChIKey

DWYRIWUZIJHQKQ-SANMLTNESA-N

InChI

InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1

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Names and synonyms

1 names

Avapritinib

Work with Blu-285

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

Elsewhere

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