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

Systemtic Name: 3-[4,6-dimethyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Openeye Name: 3-(1-benzyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid CAS Name: 3-[4,6-dimethyl-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-(1-benzyl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)propanoic acid Traditional Name: 3-(1-benzyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propionic acid Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-12-15(8-9-17(22)23)13(2)20-18-16(12)10-19-21(18)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,22,23)