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

Systemtic Name: [6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-6-phenylpyrazolo[3,4-b]pyridin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C28H25N7O MolecularWeight: 475.5444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=NC4=C3C=NN4CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=NC4=C3C=NN4CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H25N7O/c36-27(33-14-16-34(17-15-33)28-29-12-7-13-30-28)23-18-25(22-10-5-2-6-11-22)32-26-24(23)19-31-35(26)20-21-8-3-1-4-9-21/h1-13,18-19H,14-17,20H2