5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propoxy]-3-pyridin-4-yl-pyrazolo[3,4-b]pyridine-1-carboxylic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propoxy]-3-pyridin-4-yl-pyrazolo[3,4-b]pyridine-1-carboxylic acid Openeye Name: 5-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]-3-(4-pyridyl)pyrazolo[3,4-b]pyridine-1-carboxylic acid CAS Name: 5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropoxy]-3-pyridin-4-yl-1-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]-3-pyridin-4-ylpyrazolo[3,4-b]pyridine-1-carboxylic acid Traditional Name: 5-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]-3-(4-pyridyl)pyrazolo[3,4-b]pyridine-1-carboxylic acid Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)COC2=CN=C3C(=C2)C(=NN3C(=O)O)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)COC2=CN=C3C(=C2)C(=NN3C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C26H27N5O5/c1-26(2,3)36-24(32)29-19(13-17-7-5-4-6-8-17)16-35-20-14-21-22(18-9-11-27-12-10-18)30-31(25(33)34)23(21)28-15-20/h4-12,14-15,19H,13,16H2,1-3H3,(H,29,32)(H,33,34)