N-[[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)amino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H33N5O2/c1-17(2)33-25-23(15-31-33)10-24(16-29-25)32-26(34)22-5-3-18(4-6-22)14-30-27(35)28-11-19-7-20(12-28)9-21(8-19)13-28/h3-6,10,15-17,19-21H,7-9,11-14H2,1-2H3,(H,30,35)(H,32,34)