5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine

C120H97Cl2F9N16O8S4 — CID 161128559

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

5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161128559) has the molecular formula C120H97Cl2F9N16O8S4 and a molecular weight of 2261.36 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161128559
• Molecular Formula: C120H97Cl2F9N16O8S4
• Molecular Weight: 2261.36 g/mol
• Exact Mass: 2258.58
• IUPAC Name: 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc12
• InChI: InChI=1S/C23H22F2N4OS.C23H23FN4OS.C19H14F2N2O2.C19H15FN2O2.C18H11ClF2N2OS.C18H12ClFN2OS/c1-28-5-7-29(8-6-28)21-4-3-20(31-21)14-9-17-18(13-27-23(17)26-12-14)16-10-15(24)11-19(25)22(16)30-2;1-27-8-10-28(11-9-27)21-7-6-20(30-21)15-12-17-18(14-26-23(17)25-13-15)16-4-3-5-19(24)22(16)29-2;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;1-24-17-11(5-10(20)6-14(17)21)13-8-23-18-12(13)4-9(7-22-18)15-2-3-16(19)25-15;1-23-17-11(3-2-4-14(17)20)13-9-22-18-12(13)7-10(8-21-18)15-5-6-16(19)24-15/h3-4,9-13H,5-8H2,1-2H3,(H,26,27);3-7,12-14H,8-11H2,1-2H3,(H,25,26);3-9H,1-2H3,(H,22,23);3-10H,1-2H3,(H,21,22);2-8H,1H3,(H,22,23);2-9H,1H3,(H,21,22)
• InChIKey: ULWMMJRHNRJPCH-UHFFFAOYSA-N
• XLogP: 31.54
• TPSA: 266.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2261.36
LogP ≤ 5	31.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 161128559) is 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine.

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

The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(C)o3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(N4CCN(C)CC4)s3)cc12.

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

The InChIKey is ULWMMJRHNRJPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4OS.C23H23FN4OS.C19H14F2N2O2.C19H15FN2O2.C18H11ClF2N2OS.C18H12ClFN2OS/c1-28-5-7-29(8-6-28)21-4-3-20(31-21)14-9-17-18(13-27-23(17)26-12-14)16-10-15(24)11-19(25)22(16)30-2;1-27-8-10-28(11-9-27)21-7-6-20(30-21)15-12-17-18(14-26-23(17)25-13-15)16-4-3-5-19(24)22(16)29-2;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;1-24-17-11(5-10(20)6-14(17)21)13-8-23-18-12(13)4-9(7-22-18)15-2-3-16(19)25-15;1-23-17-11(3-2-4-14(17)20)13-9-22-18-12(13)7-10(8-21-18)15-5-6-16(19)24-15/h3-4,9-13H,5-8H2,1-2H3,(H,26,27);3-7,12-14H,8-11H2,1-2H3,(H,25,26);3-9H,1-2H3,(H,22,23);3-10H,1-2H3,(H,21,22);2-8H,1H3,(H,22,23);2-9H,1H3,(H,21,22).

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

5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2261.36 g/mol, XLogP of 31.54, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161128559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).