sodium (E)-7-[1-tert-butyl-4-(4-fluorophenyl)-3-methyl-6-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E)-7-[1-tert-butyl-4-(4-fluorophenyl)-3-methyl-6-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E)-7-[1-tert-butyl-4-(4-fluorophenyl)-6-isopropyl-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E)-7-[1-tert-butyl-4-(4-fluorophenyl)-3-methyl-6-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl]-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E)-7-[1-tert-butyl-4-(4-fluorophenyl)-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E)-7-[1-tert-butyl-4-(4-fluorophenyl)-6-isopropyl-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-3,5-dihydroxy-hept-6-enoate Formula: C27H33FN3NaO4 MolecularWeight: 505.556793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=C(C(=C12)C3=CC=C(C=C3)F)C=CC(CC(CC(=O)[O-])O)O)C(C)C)C(C)(C)C.[Na+]

Isomeric SMILES

CC1=NN(C2=NC(=C(C(=C12)C3=CC=C(C=C3)F)/C=C/C(CC(CC(=O)[O-])O)O)C(C)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C27H34FN3O4.Na/c1-15(2)25-21(12-11-19(32)13-20(33)14-22(34)35)24(17-7-9-18(28)10-8-17)23-16(3)30-31(26(23)29-25)27(4,5)6;/h7-12,15,19-20,32-33H,13-14H2,1-6H3,(H,34,35);/q;+1/p-1/b12-11+;