Chemical Component Summary

Name7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Identifiers7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC27 H29 N5 O
Molecular Weight439.552
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6
InChIInChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)/t20-,22+
InChIKeyAECDBHGVIIRMOI-GRGXKFILSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count0
Bond Count67
Aromatic Bond Count22