chempirical

Fostamatinib

C23H26FN6O9PCAS 901119-35-5580.47 g/mol

Open in Covalent MOL file
ONHNFNHNNOPOHOHOOONOO
AmideAryl halideEtherLactamPhosphateSecondary amine

Properties

Molecular formula
C23H26FN6O9P
Molar mass
580.47 g/mol
Exact mass
580.1483 Da
logP
2.52Crippen estimate
Polar surface area
189.9 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
9

Identifiers

CAS number
901119-35-5
SMILES
COc1cc(Nc2ncc(F)c(N=c3ccc4c([nH]3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC
InChIKey
GKDRMWXFWHEQQT-UHFFFAOYSA-N
InChI
InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)

Weigh it out

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

Names and synonyms

3 names
  • 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-
  • 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
  • R 788

Work with Fostamatinib

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

6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one841290-80-061 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook