[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H21N7O MolecularWeight: 399.44844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C22H21N7O/c30-21(27-9-11-28(12-10-27)22-23-7-4-8-24-22)19-13-18-15-26-29(20(18)25-14-19)16-17-5-2-1-3-6-17/h1-8,13-15H,9-12,16H2