4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide

C146H135Cl2F11N20O12S2 — CID 159310650

About 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide

4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 159310650) has the molecular formula C146H135Cl2F11N20O12S2 and a molecular weight of 2705.83 g/mol. Its IUPAC name is 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide
• PubChem CID: 159310650
• Molecular Formula: C146H135Cl2F11N20O12S2
• Molecular Weight: 2705.83 g/mol
• Exact Mass: 2702.92
• IUPAC Name: 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12
• InChI: InChI=1S/C26H25F3N4O.C26H26F2N4O.C25H22ClF2N3O2.C25H23ClFN3O2.C22H19F2N3O3S.C22H20FN3O3S/c1-32-5-7-33(8-6-32)24-4-3-16(11-22(24)28)9-17-10-20-21(15-31-26(20)30-14-17)19-12-18(27)13-23(29)25(19)34-2;1-31-8-10-32(11-9-31)24-7-6-17(14-23(24)28)12-18-13-20-21(16-30-26(20)29-15-18)19-4-3-5-22(27)25(19)33-2;1-32-24-18(11-17(27)12-22(24)28)20-14-30-25-19(20)9-16(13-29-25)8-15-2-3-23(21(26)10-15)31-4-6-33-7-5-31;1-31-24-18(3-2-4-22(24)27)20-15-29-25-19(20)12-17(14-28-25)11-16-5-6-23(21(26)13-16)30-7-9-32-10-8-30;1-27(2)31(28,29)16-6-4-5-13(7-16)14-8-18-19(12-26-22(18)25-11-14)17-9-15(23)10-20(24)21(17)30-3;1-26(2)30(27,28)16-7-4-6-14(10-16)15-11-18-19(13-25-22(18)24-12-15)17-8-5-9-20(23)21(17)29-3/h3-4,10-15H,5-9H2,1-2H3,(H,30,31);3-7,13-16H,8-12H2,1-2H3,(H,29,30);2-3,9-14H,4-8H2,1H3,(H,29,30);2-6,12-15H,7-11H2,1H3,(H,28,29);4-12H,1-3H3,(H,25,26);4-13H,1-3H3,(H,24,25)
• InChIKey: LCMNHQQWALLJSM-UHFFFAOYSA-N
• XLogP: 29.64
• TPSA: 340.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2705.83
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?

The IUPAC name of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide (CID 159310650) is 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide.

What is the SMILES notation for 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?

The canonical SMILES for 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.

What is the InChIKey of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?

The InChIKey is LCMNHQQWALLJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O.C26H26F2N4O.C25H22ClF2N3O2.C25H23ClFN3O2.C22H19F2N3O3S.C22H20FN3O3S/c1-32-5-7-33(8-6-32)24-4-3-16(11-22(24)28)9-17-10-20-21(15-31-26(20)30-14-17)19-12-18(27)13-23(29)25(19)34-2;1-31-8-10-32(11-9-31)24-7-6-17(14-23(24)28)12-18-13-20-21(16-30-26(20)29-15-18)19-4-3-5-22(27)25(19)33-2;1-32-24-18(11-17(27)12-22(24)28)20-14-30-25-19(20)9-16(13-29-25)8-15-2-3-23(21(26)10-15)31-4-6-33-7-5-31;1-31-24-18(3-2-4-22(24)27)20-15-29-25-19(20)12-17(14-28-25)11-16-5-6-23(21(26)13-16)30-7-9-32-10-8-30;1-27(2)31(28,29)16-6-4-5-13(7-16)14-8-18-19(12-26-22(18)25-11-14)17-9-15(23)10-20(24)21(17)30-3;1-26(2)30(27,28)16-7-4-6-14(10-16)15-11-18-19(13-25-22(18)24-12-15)17-8-5-9-20(23)21(17)29-3/h3-4,10-15H,5-9H2,1-2H3,(H,30,31);3-7,13-16H,8-12H2,1-2H3,(H,29,30);2-3,9-14H,4-8H2,1H3,(H,29,30);2-6,12-15H,7-11H2,1H3,(H,28,29);4-12H,1-3H3,(H,25,26);4-13H,1-3H3,(H,24,25).

What are the key properties of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?

4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 2705.83 g/mol, XLogP of 29.64, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 159310650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).