For Galunisertib, forms VIII, IX, X, were predicted to be more stable than forms V and VI according to the r 2 SCAN-D3 functional. Our second most stable candidate structure in the P212121 space group, is yet to be observed experimentally, and matches the structure reported as the global minimum in prior CSP landscapes. Using the conformer energy correction, the order of stabilities of the Z'=1 experimentally known forms remains largely unchanged (Figure ), in agreement with prior computed results. Adding room temperature free energy calculations (Figure (e) in SI) indicates that form VIII becomes less stable with increasing temperature and forms IX and X remain more stable than forms V and VI across the computed temperature range.