3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

C81H52F4N10O6S — CID 158408057

About 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158408057) has the molecular formula C81H52F4N10O6S and a molecular weight of 1369.43 g/mol. Its IUPAC name is 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158408057
• Molecular Formula: C81H52F4N10O6S
• Molecular Weight: 1369.43 g/mol
• Exact Mass: 1368.37
• IUPAC Name: 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(F)c1.Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1F.c1cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)co1.c1cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)co1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
• InChI: InChI=1S/2C17H10F2N2O.C17H12N2O.C15H10N2O2.C15H10N2OS/c18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-22-9-10)8-21-17(14)20-7-11;18-15-2-1-10(6-16(15)19)12-5-13-14(11-3-4-22-9-11)8-21-17(13)20-7-12;1-2-4-12(5-3-1)14-8-15-16(13-6-7-20-11-13)10-19-17(15)18-9-14;1-3-18-8-10(1)12-5-13-14(11-2-4-19-9-11)7-17-15(13)16-6-12;1-3-18-8-10(1)14-7-17-15-13(14)5-12(6-16-15)11-2-4-19-9-11/h2*1-9H,(H,20,21);1-11H,(H,18,19);2*1-9H,(H,16,17)
• InChIKey: GYYGIWPWVMDVDP-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 222.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.43
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 158408057) is 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(F)c1.Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1F.c1cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)co1.c1cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)co1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.

What is the InChIKey of 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GYYGIWPWVMDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H10F2N2O.C17H12N2O.C15H10N2O2.C15H10N2OS/c18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-22-9-10)8-21-17(14)20-7-11;18-15-2-1-10(6-16(15)19)12-5-13-14(11-3-4-22-9-11)8-21-17(13)20-7-12;1-2-4-12(5-3-1)14-8-15-16(13-6-7-20-11-13)10-19-17(15)18-9-14;1-3-18-8-10(1)12-5-13-14(11-2-4-19-9-11)7-17-15(13)16-6-12;1-3-18-8-10(1)14-7-17-15-13(14)5-12(6-16-15)11-2-4-19-9-11/h2*1-9H,(H,20,21);1-11H,(H,18,19);2*1-9H,(H,16,17).

What are the key properties of 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1369.43 g/mol, XLogP of 22.66, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158408057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).