2-(3-bromanyl-1-adamantyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)acetamide Formula: C21H27BrN4O MolecularWeight: 431.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H27BrN4O/c1-13(2)26-19-16(10-24-26)4-17(11-23-19)25-18(27)9-20-5-14-3-15(6-20)8-21(22,7-14)12-20/h4,10-11,13-15H,3,5-9,12H2,1-2H3,(H,25,27)