5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C98H104B3BrF8N18O18S4 — CID 159081842

About 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159081842) has the molecular formula C98H104B3BrF8N18O18S4 and a molecular weight of 2214.61 g/mol. Its IUPAC name is 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159081842
• Molecular Formula: C98H104B3BrF8N18O18S4
• Molecular Weight: 2214.61 g/mol
• Exact Mass: 2212.60
• IUPAC Name: 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1cnc2[nH]ncc2c1.CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc5[nH]ncc5c4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
• InChI: InChI=1S/C23H28BF2N3O5S.C23H26BF2N3O5S.C23H18F2N6O3S.C13H17BN2O2.C10H11F2NO3S.C6H4BrN3/c2*1-6-9-35(31,32)29-17-8-7-16(25)18(19(17)26)20(30)15-12-28-21-14(15)10-13(11-27-21)24-33-22(2,3)23(4,5)34-24;1-2-5-35(33,34)31-18-4-3-17(24)19(20(18)25)21(32)16-11-28-23-15(16)7-13(9-27-23)12-6-14-10-29-30-22(14)26-8-12;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12;7-5-1-4-2-9-10-6(4)8-3-5/h7-8,10-12,20,29-30H,6,9H2,1-5H3,(H,27,28);7-8,10-12,29H,6,9H2,1-5H3,(H,27,28);3-4,6-11,31H,2,5H2,1H3,(H,27,28)(H,26,29,30);5-8H,1-4H3,(H,15,16);3-4,6,13H,2,5H2,1H3;1-3H,(H,8,9,10)
• InChIKey: KAYLBPNFLLGQPL-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 509.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.61
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159081842) is 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]ncc2c1.CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc5[nH]ncc5c4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F.

What is the InChIKey of 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KAYLBPNFLLGQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BF2N3O5S.C23H26BF2N3O5S.C23H18F2N6O3S.C13H17BN2O2.C10H11F2NO3S.C6H4BrN3/c2*1-6-9-35(31,32)29-17-8-7-16(25)18(19(17)26)20(30)15-12-28-21-14(15)10-13(11-27-21)24-33-22(2,3)23(4,5)34-24;1-2-5-35(33,34)31-18-4-3-17(24)19(20(18)25)21(32)16-11-28-23-15(16)7-13(9-27-23)12-6-14-10-29-30-22(14)26-8-12;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12;7-5-1-4-2-9-10-6(4)8-3-5/h7-8,10-12,20,29-30H,6,9H2,1-5H3,(H,27,28);7-8,10-12,29H,6,9H2,1-5H3,(H,27,28);3-4,6-11,31H,2,5H2,1H3,(H,27,28)(H,26,29,30);5-8H,1-4H3,(H,15,16);3-4,6,13H,2,5H2,1H3;1-3H,(H,8,9,10).

What are the key properties of 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2214.61 g/mol, XLogP of 16.57, 27 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrazolo[3,4-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159081842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).