N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

C143H136F10N18O13S6 — CID 158765468

About N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158765468) has the molecular formula C143H136F10N18O13S6 and a molecular weight of 2697.16 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158765468
• Molecular Formula: C143H136F10N18O13S6
• Molecular Weight: 2697.16 g/mol
• Exact Mass: 2694.87
• IUPAC Name: N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc12
• InChI: InChI=1S/C25H25F2N3O3S.C25H26FN3O3S.C24H23F2N3OS.C24H22FN3O3S.C23H21F2N3OS.C22H19F2N3O2S/c1-25(2,3)30(4)34(31,32)18-8-6-7-15(9-18)16-10-20-21(14-29-24(20)28-13-16)19-11-17(26)12-22(27)23(19)33-5;1-25(2,3)29(4)33(30,31)18-9-6-8-16(12-18)17-13-20-21(15-28-24(20)27-14-17)19-10-7-11-22(26)23(19)32-5;1-30-23-18(10-16(25)11-21(23)26)20-13-28-24-19(20)9-15(12-27-24)22-6-5-17(31-22)14-29-7-3-2-4-8-29;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;1-29-22-17(9-15(24)10-20(22)25)19-12-27-23-18(19)8-14(11-26-23)21-5-4-16(30-21)13-28-6-2-3-7-28;1-28-21-15(9-14(23)10-18(21)24)17-12-26-22-16(17)8-13(11-25-22)19-2-3-20(30-19)27-4-6-29-7-5-27/h6-14H,1-5H3,(H,28,29);6-15H,1-5H3,(H,27,28);5-6,9-13H,2-4,7-8,14H2,1H3,(H,27,28);4-9,12-15H,2-3,10-11H2,1H3,(H,26,27);4-5,8-12H,2-3,6-7,13H2,1H3,(H,26,27);2-3,8-12H,4-7H2,1H3,(H,25,26)
• InChIKey: IPEWNTCUNKCHBH-UHFFFAOYSA-N
• XLogP: 33.05
• TPSA: 358.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2697.16
LogP ≤ 5	33.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 158765468) is N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCCCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc12.

What is the InChIKey of N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is IPEWNTCUNKCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O3S.C25H26FN3O3S.C24H23F2N3OS.C24H22FN3O3S.C23H21F2N3OS.C22H19F2N3O2S/c1-25(2,3)30(4)34(31,32)18-8-6-7-15(9-18)16-10-20-21(14-29-24(20)28-13-16)19-11-17(26)12-22(27)23(19)33-5;1-25(2,3)29(4)33(30,31)18-9-6-8-16(12-18)17-13-20-21(15-28-24(20)27-14-17)19-10-7-11-22(26)23(19)32-5;1-30-23-18(10-16(25)11-21(23)26)20-13-28-24-19(20)9-15(12-27-24)22-6-5-17(31-22)14-29-7-3-2-4-8-29;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;1-29-22-17(9-15(24)10-20(22)25)19-12-27-23-18(19)8-14(11-26-23)21-5-4-16(30-21)13-28-6-2-3-7-28;1-28-21-15(9-14(23)10-18(21)24)17-12-26-22-16(17)8-13(11-25-22)19-2-3-20(30-19)27-4-6-29-7-5-27/h6-14H,1-5H3,(H,28,29);6-15H,1-5H3,(H,27,28);5-6,9-13H,2-4,7-8,14H2,1H3,(H,27,28);4-9,12-15H,2-3,10-11H2,1H3,(H,26,27);4-5,8-12H,2-3,6-7,13H2,1H3,(H,26,27);2-3,8-12H,4-7H2,1H3,(H,25,26).

What are the key properties of N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?

N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2697.16 g/mol, XLogP of 33.05, 29 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;3-(3-fluoro-2-methoxyphenyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158765468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).