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

Systemtic Name: 3-[4,6-dimethyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Openeye Name: 3-[4,6-dimethyl-1-(3-thienylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid CAS Name: 3-[4,6-dimethyl-1-(3-thiophenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[4,6-dimethyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Traditional Name: 3-[4,6-dimethyl-1-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-10-13(3-4-15(20)21)11(2)18-16-14(10)7-17-19(16)8-12-5-6-22-9-12/h5-7,9H,3-4,8H2,1-2H3,(H,20,21)