N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C107H103BrF10N20O19S5 — CID 158414070

About N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 158414070) has the molecular formula C107H103BrF10N20O19S5 and a molecular weight of 2403.34 g/mol. Its IUPAC name is N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 158414070
• Molecular Formula: C107H103BrF10N20O19S5
• Molecular Weight: 2403.34 g/mol
• Exact Mass: 2400.53
• IUPAC Name: N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C4CC4)c(Br)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(=O)Cc4ccccc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)C4CC4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)N(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)NC)c3c2)c1F
• InChI: InChI=1S/C26H23F2N3O4S.C21H20BrF2N3O3S.C21H20F2N4O4S.C20H21F2N5O4S.C19H19F2N5O4S/c1-2-10-36(34,35)31-21-9-8-20(27)24(25(21)28)23(33)13-17-11-18-19(15-30-26(18)29-14-17)22(32)12-16-6-4-3-5-7-16;1-2-7-31(29,30)27-15-6-5-14(23)17(19(15)24)16(28)9-11-8-13-18(22)20(12-3-4-12)26-21(13)25-10-11;1-2-7-32(30,31)27-16-6-5-15(22)17(18(16)23)21(29)26-12-8-13-14(19(28)11-3-4-11)10-25-20(13)24-9-12;1-4-7-32(30,31)26-15-6-5-14(21)16(17(15)22)19(28)25-11-8-12-13(20(29)27(2)3)10-24-18(12)23-9-11;1-3-6-31(29,30)26-14-5-4-13(20)15(16(14)21)19(28)25-10-7-11-12(18(27)22-2)9-24-17(11)23-8-10/h3-9,11,14-15,31H,2,10,12-13H2,1H3,(H,29,30);5-6,8,10,12,27H,2-4,7,9H2,1H3,(H,25,26);5-6,8-11,27H,2-4,7H2,1H3,(H,24,25)(H,26,29);5-6,8-10,26H,4,7H2,1-3H3,(H,23,24)(H,25,28);4-5,7-9,26H,3,6H2,1-2H3,(H,22,27)(H,23,24)(H,25,28)
• InChIKey: GZQYYYWXOOYQIT-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 579.24 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.34
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 158414070) is N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C4CC4)c(Br)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(=O)Cc4ccccc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)C4CC4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)N(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)NC)c3c2)c1F.

What is the InChIKey of N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is GZQYYYWXOOYQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O4S.C21H20BrF2N3O3S.C21H20F2N4O4S.C20H21F2N5O4S.C19H19F2N5O4S/c1-2-10-36(34,35)31-21-9-8-20(27)24(25(21)28)23(33)13-17-11-18-19(15-30-26(18)29-14-17)22(32)12-16-6-4-3-5-7-16;1-2-7-31(29,30)27-15-6-5-14(23)17(19(15)24)16(28)9-11-8-13-18(22)20(12-3-4-12)26-21(13)25-10-11;1-2-7-32(30,31)27-16-6-5-15(22)17(18(16)23)21(29)26-12-8-13-14(19(28)11-3-4-11)10-25-20(13)24-9-12;1-4-7-32(30,31)26-15-6-5-14(21)16(17(15)22)19(28)25-11-8-12-13(20(29)27(2)3)10-24-18(12)23-9-11;1-3-6-31(29,30)26-14-5-4-13(20)15(16(14)21)19(28)25-10-7-11-12(18(27)22-2)9-24-17(11)23-8-10/h3-9,11,14-15,31H,2,10,12-13H2,1H3,(H,29,30);5-6,8,10,12,27H,2-4,7,9H2,1H3,(H,25,26);5-6,8-11,27H,2-4,7H2,1H3,(H,24,25)(H,26,29);5-6,8-10,26H,4,7H2,1-3H3,(H,23,24)(H,25,28);4-5,7-9,26H,3,6H2,1-2H3,(H,22,27)(H,23,24)(H,25,28).

What are the key properties of N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2403.34 g/mol, XLogP of 19.29, 40 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(3-bromo-2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[3-(2-phenylacetyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-[[2,6-difluoro-3-(propylsulfonylamino)benzoyl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158414070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).