5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C89H65BrF3N11O6S — CID 161253348

About 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161253348) has the molecular formula C89H65BrF3N11O6S and a molecular weight of 1553.53 g/mol. Its IUPAC name is 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161253348
• Molecular Formula: C89H65BrF3N11O6S
• Molecular Weight: 1553.53 g/mol
• Exact Mass: 1551.40
• IUPAC Name: 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: C=Cc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CCOc1ccc(Br)cc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CSc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.FC(F)(F)c1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c[nH]1
• InChI: InChI=1S/C19H15BrN2O2.C19H14N2O.C18H11F3N2O.C18H14N2OS.C15H11N3O/c1-2-24-18-4-3-14(20)8-15(18)13-7-16-17(12-5-6-23-11-12)10-22-19(16)21-9-13;1-2-13-3-5-14(6-4-13)16-9-17-18(15-7-8-22-12-15)11-21-19(17)20-10-16;19-18(20,21)14-3-1-2-11(6-14)13-7-15-16(12-4-5-24-10-12)9-23-17(15)22-8-13;1-22-15-4-2-12(3-5-15)14-8-16-17(13-6-7-21-11-13)10-20-18(16)19-9-14;1-3-16-6-10(1)12-5-13-14(11-2-4-19-9-11)8-18-15(13)17-7-12/h3-11H,2H2,1H3,(H,21,22);2-12H,1H2,(H,20,21);1-10H,(H,22,23);2-11H,1H3,(H,19,20);1-9,16H,(H,17,18)
• InChIKey: VBOKAHNPHRMKEB-UHFFFAOYSA-N
• XLogP: 25.32
• TPSA: 234.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1553.53
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 161253348) is 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is C=Cc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CCOc1ccc(Br)cc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CSc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.FC(F)(F)c1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c[nH]1.

What is the InChIKey of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VBOKAHNPHRMKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2.C19H14N2O.C18H11F3N2O.C18H14N2OS.C15H11N3O/c1-2-24-18-4-3-14(20)8-15(18)13-7-16-17(12-5-6-23-11-12)10-22-19(16)21-9-13;1-2-13-3-5-14(6-4-13)16-9-17-18(15-7-8-22-12-15)11-21-19(17)20-10-16;19-18(20,21)14-3-1-2-11(6-14)13-7-15-16(12-4-5-24-10-12)9-23-17(15)22-8-13;1-22-15-4-2-12(3-5-15)14-8-16-17(13-6-7-21-11-13)10-20-18(16)19-9-14;1-3-16-6-10(1)12-5-13-14(11-2-4-19-9-11)8-18-15(13)17-7-12/h3-11H,2H2,1H3,(H,21,22);2-12H,1H2,(H,20,21);1-10H,(H,22,23);2-11H,1H3,(H,19,20);1-9,16H,(H,17,18).

What are the key properties of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1553.53 g/mol, XLogP of 25.32, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethenylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161253348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).