[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Systemtic Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone Openeye Name: (1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [2-(1-methyl-2-pyrrolyl)-1-azepanyl]-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone Traditional Name: (1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C21H27N5O/c1-15(2)26-20-16(14-23-26)12-17(13-22-20)21(27)25-11-6-4-5-8-19(25)18-9-7-10-24(18)3/h7,9-10,12-15,19H,4-6,8,11H2,1-3H3