5-[3-fluoranyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperidin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-fluoranyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperidin-3-yl-pyrimidine-2,4-diamine Openeye Name: 5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(3-piperidyl)pyrimidine-2,4-diamine CAS Name: 5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(3-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperidin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(3-piperidyl)pyrimidin-4-yl]amine Formula: C22H22FN7O MolecularWeight: 419.454783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)OC4=C5C=CNC5=NC=C4)F

Isomeric SMILES

C1CC(CNC1)C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)OC4=C5C=CNC5=NC=C4)F

InChI

InChI=1S/C22H22FN7O/c23-15-10-12(3-4-17(15)31-16-6-9-28-21-14(16)5-8-27-21)18-19(13-2-1-7-26-11-13)29-22(25)30-20(18)24/h3-6,8-10,13,26H,1-2,7,11H2,(H,27,28)(H4,24,25,29,30)