3-[1-(furan-2-ylmethyl)-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

Systemtic Name: 3-[1-(furan-2-ylmethyl)-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Openeye Name: 3-[1-(2-furylmethyl)-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid CAS Name: 3-[1-(2-furanylmethyl)-4,6-dimethyl-5-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[1-(furan-2-ylmethyl)-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl]propanoic acid Traditional Name: 3-[1-(2-furfuryl)-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)O)C)CC3=CC=CO3

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)O)C)CC3=CC=CO3

InChI

InChI=1S/C16H17N3O3/c1-10-13(5-6-15(20)21)11(2)18-16-14(10)8-17-19(16)9-12-4-3-7-22-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,21)