(3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide

C₇₂H₆₆Br₃F₆N₁₇O₁₂S₂ — CID 158066292

About (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide

(3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide (PubChem CID 158066292) has the molecular formula C₇₂H₆₆Br₃F₆N₁₇O₁₂S₂ and a molecular weight of 1779.26 g/mol. Its IUPAC name is (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

• Compound Name: (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
• PubChem CID: 158066292
• Molecular Formula: C₇₂H₆₆Br₃F₆N₁₇O₁₂S₂
• Molecular Weight: 1779.26 g/mol
• Exact Mass: 1775.20
• IUPAC Name: (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(Br)cc12.Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F
• InChI: InChI=1S/C20H19BrF2N4O4S.C20H15F2N5O3S.C18H15BrF2N4O2.C14H17BrN4O3/c1-2-32(29,30)26-18-14(22)7-6-12(16(18)23)19(28)17-13-9-11(21)10-24-20(13)27(25-17)15-5-3-4-8-31-15;1-2-31(29,30)27-18-15(21)4-3-13(16(18)22)19(28)17-14-9-12(10-24-20(14)26-25-17)11-5-7-23-8-6-11;19-9-7-11-16(17(26)10-4-5-12(20)15(22)14(10)21)24-25(18(11)23-8-9)13-3-1-2-6-27-13;1-18(21-2)14(20)12-10-7-9(15)8-16-13(10)19(17-12)11-5-3-4-6-22-11/h6-7,9-10,15,26H,2-5,8H2,1H3;3-10,27H,2H2,1H3,(H,24,25,26);4-5,7-8,13H,1-3,6,22H2;7-8,11H,3-6H2,1-2H3
• InChIKey: FLGNAZBYORQZKZ-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 373.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1779.26
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?

The IUPAC name of (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide (CID 158066292) is (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide.

What is the SMILES notation for (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?

The canonical SMILES for (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(Br)cc12.Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.

What is the InChIKey of (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?

The InChIKey is FLGNAZBYORQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N4O4S.C20H15F2N5O3S.C18H15BrF2N4O2.C14H17BrN4O3/c1-2-32(29,30)26-18-14(22)7-6-12(16(18)23)19(28)17-13-9-11(21)10-24-20(13)27(25-17)15-5-3-4-8-31-15;1-2-31(29,30)27-18-15(21)4-3-13(16(18)22)19(28)17-14-9-12(10-24-20(14)26-25-17)11-5-7-23-8-6-11;19-9-7-11-16(17(26)10-4-5-12(20)15(22)14(10)21)24-25(18(11)23-8-9)13-3-1-2-6-27-13;1-18(21-2)14(20)12-10-7-9(15)8-16-13(10)19(17-12)11-5-3-4-6-22-11/h6-7,9-10,15,26H,2-5,8H2,1H3;3-10,27H,2H2,1H3,(H,24,25,26);4-5,7-8,13H,1-3,6,22H2;7-8,11H,3-6H2,1-2H3.

What are the key properties of (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?

(3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 1779.26 g/mol, XLogP of 13.97, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,4-difluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 158066292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158066292 — identifiers, structure, computed properties (public domain)

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