3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine

C129H116F7N17O13S2 — CID 158119737

About 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine

3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine (PubChem CID 158119737) has the molecular formula C129H116F7N17O13S2 and a molecular weight of 2309.57 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine.

Molecular Properties

• Compound Name: 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
• PubChem CID: 158119737
• Molecular Formula: C129H116F7N17O13S2
• Molecular Weight: 2309.57 g/mol
• Exact Mass: 2307.83
• IUPAC Name: 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(N2CCN(C)CC2)ccc(F)c1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(N2CCOCC2)ccc(F)c1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(N2CCOCC2)ccc(F)c1-c1c[nH]c2ncc(-c3ccsc3)cc12.COc1cc(N2CCOCC2)cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1F
• InChI: InChI=1S/C24H25FN4O2.C23H22FN3O3.2C22H20FN3O2S.C19H14F2N2O2.C19H15FN2O2/c1-15-4-7-21(31-15)16-12-17-18(14-27-24(17)26-13-16)22-19(25)5-6-20(23(22)30-3)29-10-8-28(2)9-11-29;1-14-3-6-20(30-14)15-11-16-17(13-26-23(16)25-12-15)21-18(24)4-5-19(22(21)28-2)27-7-9-29-10-8-27;1-27-20-10-16(26-3-5-28-6-4-26)9-17(21(20)23)19-12-25-22-18(19)8-15(11-24-22)14-2-7-29-13-14;1-27-21-19(26-5-7-28-8-6-26)3-2-18(23)20(21)17-12-25-22-16(17)10-15(11-24-22)14-4-9-29-13-14;1-10-3-4-17(25-10)11-5-14-15(9-23-19(14)22-8-11)13-6-12(20)7-16(21)18(13)24-2;1-11-6-7-17(24-11)12-8-14-15(10-22-19(14)21-9-12)13-4-3-5-16(20)18(13)23-2/h4-7,12-14H,8-11H2,1-3H3,(H,26,27);3-6,11-13H,7-10H2,1-2H3,(H,25,26);2,7-13H,3-6H2,1H3,(H,24,25);2-4,9-13H,5-8H2,1H3,(H,24,25);3-9H,1-2H3,(H,22,23);3-10H,1-2H3,(H,21,22)
• InChIKey: FRLNKKSLOODUQJ-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 323.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2309.57
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?

The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine (CID 158119737) is 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine.

What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?

The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(N2CCN(C)CC2)ccc(F)c1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(N2CCOCC2)ccc(F)c1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(N2CCOCC2)ccc(F)c1-c1c[nH]c2ncc(-c3ccsc3)cc12.COc1cc(N2CCOCC2)cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1F.

What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?

The InChIKey is FRLNKKSLOODUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2.C23H22FN3O3.2C22H20FN3O2S.C19H14F2N2O2.C19H15FN2O2/c1-15-4-7-21(31-15)16-12-17-18(14-27-24(17)26-13-16)22-19(25)5-6-20(23(22)30-3)29-10-8-28(2)9-11-29;1-14-3-6-20(30-14)15-11-16-17(13-26-23(16)25-12-15)21-18(24)4-5-19(22(21)28-2)27-7-9-29-10-8-27;1-27-20-10-16(26-3-5-28-6-4-26)9-17(21(20)23)19-12-25-22-18(19)8-15(11-24-22)14-2-7-29-13-14;1-27-21-19(26-5-7-28-8-6-26)3-2-18(23)20(21)17-12-25-22-16(17)10-15(11-24-22)14-4-9-29-13-14;1-10-3-4-17(25-10)11-5-14-15(9-23-19(14)22-8-11)13-6-12(20)7-16(21)18(13)24-2;1-11-6-7-17(24-11)12-8-14-15(10-22-19(14)21-9-12)13-4-3-5-16(20)18(13)23-2/h4-7,12-14H,8-11H2,1-3H3,(H,26,27);3-6,11-13H,7-10H2,1-2H3,(H,25,26);2,7-13H,3-6H2,1H3,(H,24,25);2-4,9-13H,5-8H2,1H3,(H,24,25);3-9H,1-2H3,(H,22,23);3-10H,1-2H3,(H,21,22).

What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?

3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine has a molecular weight of 2309.57 g/mol, XLogP of 29.40, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine is sourced from PubChem (CID 158119737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).