3-acetamido-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)adamantane-1-carboxamide Openeye Name: 3-acetamido-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)adamantane-1-carboxamide CAS Name: 3-acetamido-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)adamantane-1-carboxamide Traditional Name: 3-acetamido-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)adamantane-1-carboxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C)C

InChI

InChI=1S/C21H27N5O2/c1-12-17-5-16(10-22-18(17)26(3)25-12)23-19(28)20-6-14-4-15(7-20)9-21(8-14,11-20)24-13(2)27/h5,10,14-15H,4,6-9,11H2,1-3H3,(H,23,28)(H,24,27)