Chemical Component Summary

NameN-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
Identifiers~{N}-[[3-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]ethanamide
FormulaC26 H27 N5 O2
Molecular Weight441.525
TypeNON-POLYMER
Isomeric SMILESCC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5
InChIInChI=1S/C26H27N5O2/c1-17(32)28-13-19-10-21(11-19)31-14-23(24-25(27)29-16-30-26(24)31)20-8-5-9-22(12-20)33-15-18-6-3-2-4-7-18/h2-9,12,14,16,19,21H,10-11,13,15H2,1H3,(H,28,32)(H2,27,29,30)
InChIKeyBUCAFRXFNHCHRU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count64
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 9867941
ChEMBL CHEMBL3981139, CHEMBL3970729, CHEMBL3963352