N-(4-bromanyl-2-fluoranyl-phenyl)-1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-butyl-6-cyclopropyl-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H22BrFN4O MolecularWeight: 445.327983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H22BrFN4O/c1-3-4-9-27-20-19(12(2)26-27)15(11-18(24-20)13-5-6-13)21(28)25-17-8-7-14(22)10-16(17)23/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,25,28)