4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2S)-2-oxidanylpropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2S)-2-oxidanylpropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-(2-fluoro-4-iodo-anilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide IUPAC Name: 4-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-(2-fluoro-4-iodo-anilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C16H15FIN5O3 MolecularWeight: 471.224873

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Descriptors Computed from Structure

Canonical SMILES:

CC(CONC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)I)F)C=NN2)O

Isomeric SMILES

C[C@@H](CONC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)I)F)C=NN2)O

InChI

InChI=1S/C16H15FIN5O3/c1-8(24)7-26-23-16(25)11-5-19-15-10(6-20-22-15)14(11)21-13-3-2-9(18)4-12(13)17/h2-6,8,24H,7H2,1H3,(H,23,25)(H2,19,20,21,22)/t8-/m0/s1