6-cyclopropyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-cyclopropyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 6-cyclopropyl-N-[(4S)-6-fluorothiochroman-4-yl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-cyclopropyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 6-cyclopropyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 6-cyclopropyl-N-[(4S)-6-fluorothiochroman-4-yl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H21FN4OS MolecularWeight: 396.481043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NC4CCSC5=C4C=C(C=C5)F)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N[C@H]4CCSC5=C4C=C(C=C5)F)C

InChI

InChI=1S/C21H21FN4OS/c1-11-19-15(10-17(12-3-4-12)23-20(19)26(2)25-11)21(27)24-16-7-8-28-18-6-5-13(22)9-14(16)18/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,24,27)/t16-/m0/s1