N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

InChI

InChI=1S/C22H28N6O/c1-4-26-9-11-27(12-10-26)20-7-5-19(6-8-20)25-22(29)18-13-17-15-24-28(16(2)3)21(17)23-14-18/h5-8,13-16H,4,9-12H2,1-3H3,(H,25,29)/p+1