5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine

C108H94N14O8 — CID 160669475

About 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine

5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine (PubChem CID 160669475) has the molecular formula C108H94N14O8 and a molecular weight of 1716.03 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine
• PubChem CID: 160669475
• Molecular Formula: C108H94N14O8
• Molecular Weight: 1716.03 g/mol
• Exact Mass: 1714.74
• IUPAC Name: 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine
• SMILES: OCc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCOCC2)c1.c1ccc2c(c1)oc1c(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cccc12
• InChI: InChI=1S/C23H23N3O.C23H14N2O2.C22H22N4O.C22H21N3O2.C18H14N2O2/c1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19;1-2-7-21-17(4-1)18-6-3-5-16(22(18)27-21)15-10-19-20(14-8-9-26-13-14)12-25-23(19)24-11-15;1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18;1-2-4-19(16(3-1)14-25-6-9-26-10-7-25)18-11-20-21(17-5-8-27-15-17)13-24-22(20)23-12-18;21-10-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)9-20-18(16)19-8-14/h2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25);1-13H,(H,24,25);1-5,10-13,15,23H,6-9,14H2,(H,24,25);1-5,8,11-13,15H,6-7,9-10,14H2,(H,23,24);1-9,11,21H,10H2,(H,19,20)
• InChIKey: RMSXIFNBQJKOHF-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 273.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.03
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

The IUPAC name of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine (CID 160669475) is 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine.

What is the SMILES notation for 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

The canonical SMILES for 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine is OCc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCOCC2)c1.c1ccc2c(c1)oc1c(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cccc12.

What is the InChIKey of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

The InChIKey is RMSXIFNBQJKOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.C23H14N2O2.C22H22N4O.C22H21N3O2.C18H14N2O2/c1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19;1-2-7-21-17(4-1)18-6-3-5-16(22(18)27-21)15-10-19-20(14-8-9-26-13-14)12-25-23(19)24-11-15;1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18;1-2-4-19(16(3-1)14-25-6-9-26-10-7-25)18-11-20-21(17-5-8-27-15-17)13-24-22(20)23-12-18;21-10-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)9-20-18(16)19-8-14/h2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25);1-13H,(H,24,25);1-5,10-13,15,23H,6-9,14H2,(H,24,25);1-5,8,11-13,15H,6-7,9-10,14H2,(H,23,24);1-9,11,21H,10H2,(H,19,20).

What are the key properties of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine?

5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine has a molecular weight of 1716.03 g/mol, XLogP of 24.06, 17 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 160669475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).