chempirical

Jakafi

C17H21N6O4PCAS 1092939-17-7404.37 g/mol

Open in Covalent MOL file
NNNNHNNOPOHHOOH
NitrilePhosphate

Properties

Molecular formula
C17H21N6O4P
Molar mass
404.37 g/mol
Exact mass
404.1362 Da
logP
2.49Crippen estimate
Polar surface area
160.9 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
1092939-17-7
SMILES
N#CC[C@H](C1CCCC1)n1cc(-c2nc[nH]c3nccc2-3)cn1.O=P(O)(O)O
InChIKey
JFMWPOCYMYGEDM-XFULWGLBSA-N
InChI
InChI=1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (βR)-, phosphate (1:1)
  • Ruxolitinib phosphate
  • INCB 018424 phosphate
  • INC 424 phosphate
  • Jakavi

Work with Jakafi

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

Ruxolitinib941678-49-586 % similar Baricitinib1187594-09-741 % similar Baricitinib phosphate1187595-84-132 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook