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

Systemtic Name: 3-[4,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-1-(thiophen-2-ylmethyl)-5-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Traditional Name: 3-[4,6-dimethyl-1-(2-thenyl)pyrazolo[3,4-b]pyridin-5-yl]propionic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)O)C)CC3=CC=CS3

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)O)C)CC3=CC=CS3

InChI

InChI=1S/C16H17N3O2S/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)