3-[4-(5-fluoranyl-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenoxy]-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-[4-(5-fluoranyl-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenoxy]-N,N-dimethyl-propan-1-amine Openeye Name: 3-[4-(5-fluoro-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenoxy]-N,N-dimethyl-propan-1-amine CAS Name: 3-[4-[5-fluoro-3-(5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenoxy]-N,N-dimethyl-1-propanamine IUPAC Name: 3-[4-(5-fluoro-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine Traditional Name: 3-[4-[5-fluoro-3-(5-pyrimidyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenoxy]propyl-dimethyl-amine Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)F)C4=CN=CN=C4

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)F)C4=CN=CN=C4

InChI

InChI=1S/C22H22FN5O/c1-28(2)8-3-9-29-18-6-4-15(5-7-18)21-20(16-11-24-14-25-12-16)19-10-17(23)13-26-22(19)27-21/h4-7,10-14H,3,8-9H2,1-2H3,(H,26,27)