2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

C123H115F11N20O17S5 — CID 158430781

About 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 158430781) has the molecular formula C123H115F11N20O17S5 and a molecular weight of 2514.71 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
• PubChem CID: 158430781
• Molecular Formula: C123H115F11N20O17S5
• Molecular Weight: 2514.71 g/mol
• Exact Mass: 2512.72
• IUPAC Name: 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4cccc(OCCOCC)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccccn4)cc3c2)c1F.CCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C4=CCN(C)CC4)cc3c2)c1F
• InChI: InChI=1S/C28H29F2N3O5S.C27H24F2N4O3S.C23H19F3N4O3S.C23H24F2N4O3S.C22H19F2N5O3S/c1-3-12-39(35,36)33-23-9-8-22(29)26(27(23)30)25(34)14-18-13-20-16-24(32-28(20)31-17-18)19-6-5-7-21(15-19)38-11-10-37-4-2;1-3-10-37(35,36)32-21-6-5-20(28)25(26(21)29)24(34)12-16-11-19-14-22(31-27(19)30-15-16)17-4-7-23-18(13-17)8-9-33(23)2;1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13;1-3-33(31,32)28-18-5-4-17(24)21(22(18)25)20(30)11-14-10-16-12-19(27-23(16)26-13-14)15-6-8-29(2)9-7-15;1-2-9-33(31,32)29-17-7-6-15(23)19(20(17)24)22(30)27-14-10-13-11-18(28-21(13)26-12-14)16-5-3-4-8-25-16/h5-9,13,15-17,33H,3-4,10-12,14H2,1-2H3,(H,31,32);4-9,11,13-15,32H,3,10,12H2,1-2H3,(H,30,31);3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31);4-6,10,12-13,28H,3,7-9,11H2,1-2H3,(H,26,27);3-8,10-12,29H,2,9H2,1H3,(H,26,28)(H,27,30)
• InChIKey: HBQAOJWAOUJSER-UHFFFAOYSA-N
• XLogP: 24.18
• TPSA: 523.18 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 42
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.71
LogP ≤ 5	24.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The IUPAC name of 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 158430781) is 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The canonical SMILES for 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4cccc(OCCOCC)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccccn4)cc3c2)c1F.CCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C4=CCN(C)CC4)cc3c2)c1F.

What is the InChIKey of 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The InChIKey is HBQAOJWAOUJSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O5S.C27H24F2N4O3S.C23H19F3N4O3S.C23H24F2N4O3S.C22H19F2N5O3S/c1-3-12-39(35,36)33-23-9-8-22(29)26(27(23)30)25(34)14-18-13-20-16-24(32-28(20)31-17-18)19-6-5-7-21(15-19)38-11-10-37-4-2;1-3-10-37(35,36)32-21-6-5-20(28)25(26(21)29)24(34)12-16-11-19-14-22(31-27(19)30-15-16)17-4-7-23-18(13-17)8-9-33(23)2;1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13;1-3-33(31,32)28-18-5-4-17(24)21(22(18)25)20(30)11-14-10-16-12-19(27-23(16)26-13-14)15-6-8-29(2)9-7-15;1-2-9-33(31,32)29-17-7-6-15(23)19(20(17)24)22(30)27-14-10-13-11-18(28-21(13)26-12-14)16-5-3-4-8-25-16/h5-9,13,15-17,33H,3-4,10-12,14H2,1-2H3,(H,31,32);4-9,11,13-15,32H,3,10,12H2,1-2H3,(H,30,31);3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31);4-6,10,12-13,28H,3,7-9,11H2,1-2H3,(H,26,27);3-8,10-12,29H,2,9H2,1H3,(H,26,28)(H,27,30).

What are the key properties of 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?

2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 2514.71 g/mol, XLogP of 24.18, 42 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 158430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).