Avapritinib

C26H27FN10CAS 1703793-34-3498.57 g/mol

Open in Covalent MOL file
FNNNNNNNNNNH2
Aryl halidePrimary amineTertiary 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 Ų
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.

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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
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C26H28FN10 499.2477
[M + Na]+
[M + Na]+ Calcd for C26H27FN10Na 521.2296
[M − H]−
[M − H]− Calcd for C26H26FN10 497.2331
Elemental analysis
Anal. Calcd for C26H27FN10: C, 62.64; H, 5.46; N, 28.09.

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 name
  • Blu-285

Work with Avapritinib

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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