1,3-benzodioxol-5-yl 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanoate CAS Name: 3-(4,6-dimethyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanoate Traditional Name: 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)OC3=CC4=C(C=C3)OCO4)C)C(C)C

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)OC3=CC4=C(C=C3)OCO4)C)C(C)C

InChI

InChI=1S/C21H23N3O4/c1-12(2)24-21-17(10-22-24)13(3)16(14(4)23-21)6-8-20(25)28-15-5-7-18-19(9-15)27-11-26-18/h5,7,9-10,12H,6,8,11H2,1-4H3