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

Systemtic Name: N-[5-bromanyl-2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[5-bromo-2-(4-methyl-1-piperazinyl)phenyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[5-bromo-2-(4-methylpiperazino)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25BrN6O MolecularWeight: 457.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=C(C=CC(=C3)Br)N4CCN(CC4)C

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=C(C=CC(=C3)Br)N4CCN(CC4)C

InChI

InChI=1S/C21H25BrN6O/c1-14(2)28-20-15(13-24-28)10-16(12-23-20)21(29)25-18-11-17(22)4-5-19(18)27-8-6-26(3)7-9-27/h4-5,10-14H,6-9H2,1-3H3,(H,25,29)