1-[3-(2-fluoranylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea

Systemtic Name: 1-[3-(2-fluoranylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea Openeye Name: 1-[3-(2-fluoroethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea CAS Name: 1-[3-(2-fluoroethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea IUPAC Name: 1-[3-(2-fluoroethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea Traditional Name: 1-[3-(2-fluoroethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea Formula: C22H17F4N5O2 MolecularWeight: 459.396293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)CCF)OC3=C4C=NNC4=NC=C3

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)CCF)OC3=C4C=NNC4=NC=C3

InChI

InChI=1S/C22H17F4N5O2/c23-7-5-13-9-14(22(24,25)26)11-16(10-13)30-21(32)29-15-1-3-17(4-2-15)33-19-6-8-27-20-18(19)12-28-31-20/h1-4,6,8-12H,5,7H2,(H,27,28,31)(H2,29,30,32)