Submission Details
Molecule(s):
O=C(Nc1cccnc1)c1ccc(N2CCCOCC2)cn1
N#Cc1ncc(N2CCCOCC2)cc1C(=O)Nc1cccnc1
O=C(CCl)c1ccc(N2CCCOCC2)cn1
N#Cc1ncc(N2CCCOCC2)cc1-c1ncco1
Design Rationale:
Allows for Buch. Hartwig on Br a protected ester ; scope for other high sp3 amines e.g. 2- or 3-Me morpholines, piperazines, piperidines. Deprotect ester and do simple amide couplings with e.g. 3-amino pyridine, regiomers, other biosiosteres. Is there a way of incorporating the CN from the original nitrile hit too?
Other Notes:
Low clogP 0.58 and PSA (66 A2) from Chemdraw for original idea (LHS). Synthetically feasible and poised; 4-Br, 2-Co2H pyr is cheap.