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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide

C117H105ClF7N15O14S4 — CID 159267131

About 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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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 159267131) has the molecular formula C117H105ClF7N15O14S4 and a molecular weight of 2241.92 g/mol. Its IUPAC name is 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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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: 159267131
• Molecular Formula: C117H105ClF7N15O14S4
• Molecular Weight: 2241.92 g/mol
• Exact Mass: 2239.64
• IUPAC Name: 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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12
• InChI: InChI=1S/C25H23ClFN3O2.C24H21F2N3O3S.C24H22FN3O3S.C22H19F2N3O3S.C22H20FN3O3S/c1-31-24-18(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;1-32-23-19(11-17(25)12-22(23)26)21-14-28-24-20(21)10-16(13-27-24)15-5-4-6-18(9-15)33(30,31)29-7-2-3-8-29;1-31-23-19(8-5-9-22(23)25)21-15-27-24-20(21)13-17(14-26-24)16-6-4-7-18(12-16)32(29,30)28-10-2-3-11-28;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/h2-6,12-15H,7-11H2,1H3,(H,28,29);4-6,9-14H,2-3,7-8H2,1H3,(H,27,28);4-9,12-15H,2-3,10-11H2,1H3,(H,26,27);4-12H,1-3H3,(H,25,26);4-13H,1-3H3,(H,24,25)
• InChIKey: KXGBYQCLSSISMW-UHFFFAOYSA-N
• XLogP: 23.98
• TPSA: 351.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.92
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide (CID 159267131) is 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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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 KXGBYQCLSSISMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O2.C24H21F2N3O3S.C24H22FN3O3S.C22H19F2N3O3S.C22H20FN3O3S/c1-31-24-18(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;1-32-23-19(11-17(25)12-22(23)26)21-14-28-24-20(21)10-16(13-27-24)15-5-4-6-18(9-15)33(30,31)29-7-2-3-8-29;1-31-23-19(8-5-9-22(23)25)21-15-27-24-20(21)13-17(14-26-24)16-6-4-7-18(12-16)32(29,30)28-10-2-3-11-28;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/h2-6,12-15H,7-11H2,1H3,(H,28,29);4-6,9-14H,2-3,7-8H2,1H3,(H,27,28);4-9,12-15H,2-3,10-11H2,1H3,(H,26,27);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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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 2241.92 g/mol, XLogP of 23.98, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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-pyrrolidin-1-ylsulfonylphenyl)-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-pyrrolidin-1-ylsulfonylphenyl)-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 159267131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).