3-[4,6-dimethyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

Systemtic Name: 3-[4,6-dimethyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-1-(3-pyridylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-1-(3-pyridinylmethyl)-5-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Traditional Name: 3-[4,6-dimethyl-1-(3-pyridylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propionic acid Formula: C17H18N4O2 MolecularWeight: 310.35042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)O)C)CC3=CN=CC=C3

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)O)C)CC3=CN=CC=C3

InChI

InChI=1S/C17H18N4O2/c1-11-14(5-6-16(22)23)12(2)20-17-15(11)9-19-21(17)10-13-4-3-7-18-8-13/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23)