1-[4-(4-fluoranylphenoxy)-3-(trifluoromethyl)phenyl]-3-[4-[[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]urea

Systemtic Name: 1-[4-(4-fluoranylphenoxy)-3-(trifluoromethyl)phenyl]-3-[4-[[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]urea Openeye Name: 1-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-3-[4-[[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]urea CAS Name: 1-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-3-[4-[[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]urea IUPAC Name: 1-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-3-[4-[[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]urea Traditional Name: 1-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-3-[4-[[5-(methoxymethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]urea Formula: C28H21F4N5O4 MolecularWeight: 567.491053

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN=C2C(=C1OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)OC5=CC=C(C=C5)F)C(F)(F)F)C=NN2

Isomeric SMILES

COCC1=CN=C2C(=C1OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)OC5=CC=C(C=C5)F)C(F)(F)F)C=NN2

InChI

InChI=1S/C28H21F4N5O4/c1-39-15-16-13-33-26-22(14-34-37-26)25(16)41-21-9-4-18(5-10-21)35-27(38)36-19-6-11-24(23(12-19)28(30,31)32)40-20-7-2-17(29)3-8-20/h2-14H,15H2,1H3,(H,33,34,37)(H2,35,36,38)