(3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide

C94H93BBr3ClF12N18O23S7 — CID 158100322

About (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide

(3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide (PubChem CID 158100322) has the molecular formula C94H93BBr3ClF12N18O23S7 and a molecular weight of 2581.30 g/mol. Its IUPAC name is (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide
• PubChem CID: 158100322
• Molecular Formula: C94H93BBr3ClF12N18O23S7
• Molecular Weight: 2581.30 g/mol
• Exact Mass: 2576.18
• IUPAC Name: (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide
• SMILES: CCCS(=O)(=O)Cl.CCCS(=O)(=O)N(c1c(F)cc(F)c(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F)S(=O)(=O)CCC.CCCS(=O)(=O)Nc1c(F)cc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)cc(F)c(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.NS(=O)(=O)c1ccc(B(O)O)cc1.Nc1c(F)cc(F)c(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F
• InChI: InChI=1S/C24H26BrF3N4O6S2.C22H18F3N5O5S2.C21H20BrF3N4O4S.C18H14BrF3N4O2.C6H8BNO4S.C3H7ClO2S/c1-3-9-39(34,35)32(40(36,37)10-4-2)22-17(27)12-16(26)19(20(22)28)23(33)21-15-11-14(25)13-29-24(15)31(30-21)18-7-5-6-8-38-18;1-2-7-36(32,33)30-20-16(24)9-15(23)17(18(20)25)21(31)19-14-8-12(10-27-22(14)29-28-19)11-3-5-13(6-4-11)37(26,34)35;1-2-7-34(31,32)28-19-14(24)9-13(23)16(17(19)25)20(30)18-12-8-11(22)10-26-21(12)29(27-18)15-5-3-4-6-33-15;19-8-5-9-16(17(27)13-10(20)6-11(21)15(23)14(13)22)25-26(18(9)24-7-8)12-3-1-2-4-28-12;8-13(11,12)6-3-1-5(2-4-6)7(9)10;1-2-3-7(4,5)6/h11-13,18H,3-10H2,1-2H3;3-6,8-10,30H,2,7H2,1H3,(H2,26,34,35)(H,27,28,29);8-10,15,28H,2-7H2,1H3;5-7,12H,1-4,23H2;1-4,9-10H,(H2,8,11,12);2-3H2,1H3
• InChIKey: FPEFINYXZBYIQM-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 614.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.30
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide?

The IUPAC name of (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide (CID 158100322) is (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide.

What is the SMILES notation for (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide?

The canonical SMILES for (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide is CCCS(=O)(=O)Cl.CCCS(=O)(=O)N(c1c(F)cc(F)c(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F)S(=O)(=O)CCC.CCCS(=O)(=O)Nc1c(F)cc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)cc(F)c(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.NS(=O)(=O)c1ccc(B(O)O)cc1.Nc1c(F)cc(F)c(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.

What is the InChIKey of (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide?

The InChIKey is FPEFINYXZBYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrF3N4O6S2.C22H18F3N5O5S2.C21H20BrF3N4O4S.C18H14BrF3N4O2.C6H8BNO4S.C3H7ClO2S/c1-3-9-39(34,35)32(40(36,37)10-4-2)22-17(27)12-16(26)19(20(22)28)23(33)21-15-11-14(25)13-29-24(15)31(30-21)18-7-5-6-8-38-18;1-2-7-36(32,33)30-20-16(24)9-15(23)17(18(20)25)21(31)19-14-8-12(10-27-22(14)29-28-19)11-3-5-13(6-4-11)37(26,34)35;1-2-7-34(31,32)28-19-14(24)9-13(23)16(17(19)25)20(30)18-12-8-11(22)10-26-21(12)29(27-18)15-5-3-4-6-33-15;19-8-5-9-16(17(27)13-10(20)6-11(21)15(23)14(13)22)25-26(18(9)24-7-8)12-3-1-2-4-28-12;8-13(11,12)6-3-1-5(2-4-6)7(9)10;1-2-3-7(4,5)6/h11-13,18H,3-10H2,1-2H3;3-6,8-10,30H,2,7H2,1H3,(H2,26,34,35)(H,27,28,29);8-10,15,28H,2-7H2,1H3;5-7,12H,1-4,23H2;1-4,9-10H,(H2,8,11,12);2-3H2,1H3.

What are the key properties of (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide?

(3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide has a molecular weight of 2581.30 g/mol, XLogP of 15.69, 32 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,4,6-trifluorophenyl)-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]methanone;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide;N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;propane-1-sulfonyl chloride;(4-sulfamoylphenyl)boronic acid;4-[3-[2,4,6-trifluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 158100322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).