5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium

C117H128BBrF3I9N26O13S3V- — CID 158854266

About 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium (PubChem CID 158854266) has the molecular formula C117H128BBrF3I9N26O13S3V- and a molecular weight of 3543.47 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium.

Molecular Properties

• Compound Name: 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium
• PubChem CID: 158854266
• Molecular Formula: C117H128BBrF3I9N26O13S3V-
• Molecular Weight: 3543.47 g/mol
• Exact Mass: 3540.94
• IUPAC Name: 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium
• SMILES: C.CC.CC(I)I.CCI.CS(=O)(=O)NCc1cc(F)cc(-c2nccc(N)c2N)c1.Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)nccc4[nH]3)n[nH]c2cn1.Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)nccc4[nH]3)nn(C3CCCCO3)c2cn1.Cc1ccncc1-c1cc2c(C=O)nn(C3CCCCO3)c2cn1.Cc1ccncc1B(O)O.IC(I)I.I[V](I)I.O=Cc1nn(C2CCCCO2)c2cnc(Br)cc12.[CH3-]
• InChI: InChI=1S/C32H30FN7O3S.C27H22FN7O2S.C18H18N4O2.C13H15FN4O2S.C12H12BrN3O2.C6H8BNO2.C2H4I2.C2H5I.C2H6.CHI3.CH4.CH3.3HI.V/c1-19-6-9-34-17-24(19)26-16-23-27(18-36-26)40(28-5-3-4-11-43-28)39-30(23)32-37-25-7-10-35-29(31(25)38-32)21-13-20(14-22(33)15-21)8-12-44(2,41)42;1-15-3-6-29-13-20(15)22-12-19-23(14-31-22)34-35-25(19)27-32-21-4-7-30-24(26(21)33-27)17-9-16(10-18(28)11-17)5-8-38(2,36)37;1-12-5-6-19-9-14(12)15-8-13-16(11-23)21-22(17(13)10-20-15)18-4-2-3-7-24-18;1-21(19,20)18-7-8-4-9(6-10(14)5-8)13-12(16)11(15)2-3-17-13;13-11-5-8-9(7-17)15-16(10(8)6-14-11)12-3-1-2-4-18-12;1-5-2-3-8-4-6(5)7(9)10;1-2(3)4;1-2-3;1-2;2-1(3)4;;;;;;/h6-7,9-10,13-18,28H,3-5,8,11-12H2,1-2H3,(H,37,38);3-4,6-7,9-14H,5,8H2,1-2H3,(H,32,33)(H,34,35);5-6,8-11,18H,2-4,7H2,1H3;2-6,18H,7,16H2,1H3,(H2,15,17);5-7,12H,1-4H2;2-4,9-10H,1H3;2H,1H3;2H2,1H3;1-2H3;1H;1H4;1H3;3*1H;/q;;;;;;;;;;;-1;;;;+3/p-3
• InChIKey: QFBJAZUETWXYGI-UHFFFAOYSA-K
• XLogP: 27.67
• TPSA: 550.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3543.47
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium?

The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium (CID 158854266) is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium.

What is the SMILES notation for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium?

The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium is C.CC.CC(I)I.CCI.CS(=O)(=O)NCc1cc(F)cc(-c2nccc(N)c2N)c1.Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)nccc4[nH]3)n[nH]c2cn1.Cc1ccncc1-c1cc2c(-c3nc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)nccc4[nH]3)nn(C3CCCCO3)c2cn1.Cc1ccncc1-c1cc2c(C=O)nn(C3CCCCO3)c2cn1.Cc1ccncc1B(O)O.IC(I)I.I[V](I)I.O=Cc1nn(C2CCCCO2)c2cnc(Br)cc12.[CH3-].

What is the InChIKey of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium?

The InChIKey is QFBJAZUETWXYGI-UHFFFAOYSA-K. The full InChI is InChI=1S/C32H30FN7O3S.C27H22FN7O2S.C18H18N4O2.C13H15FN4O2S.C12H12BrN3O2.C6H8BNO2.C2H4I2.C2H5I.C2H6.CHI3.CH4.CH3.3HI.V/c1-19-6-9-34-17-24(19)26-16-23-27(18-36-26)40(28-5-3-4-11-43-28)39-30(23)32-37-25-7-10-35-29(31(25)38-32)21-13-20(14-22(33)15-21)8-12-44(2,41)42;1-15-3-6-29-13-20(15)22-12-19-23(14-31-22)34-35-25(19)27-32-21-4-7-30-24(26(21)33-27)17-9-16(10-18(28)11-17)5-8-38(2,36)37;1-12-5-6-19-9-14(12)15-8-13-16(11-23)21-22(17(13)10-20-15)18-4-2-3-7-24-18;1-21(19,20)18-7-8-4-9(6-10(14)5-8)13-12(16)11(15)2-3-17-13;13-11-5-8-9(7-17)15-16(10(8)6-14-11)12-3-1-2-4-18-12;1-5-2-3-8-4-6(5)7(9)10;1-2(3)4;1-2-3;1-2;2-1(3)4;;;;;;/h6-7,9-10,13-18,28H,3-5,8,11-12H2,1-2H3,(H,37,38);3-4,6-7,9-14H,5,8H2,1-2H3,(H,32,33)(H,34,35);5-6,8-11,18H,2-4,7H2,1H3;2-6,18H,7,16H2,1H3,(H2,15,17);5-7,12H,1-4H2;2-4,9-10H,1H3;2H,1H3;2H2,1H3;1-2H3;1H;1H4;1H3;3*1H;/q;;;;;;;;;;;-1;;;;+3/p-3.

What are the key properties of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium?

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium has a molecular weight of 3543.47 g/mol, XLogP of 27.67, 23 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;carbanide;N-[[3-(3,4-diamino-2-pyridinyl)-5-fluorophenyl]methyl]methanesulfonamide;1,1-diiodoethane;ethane;3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine;4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridine;iodoethane;iodoform;methane;(4-methyl-3-pyridinyl)boronic acid;5-(4-methyl-3-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine-3-carbaldehyde;triiodovanadium is sourced from PubChem (CID 158854266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).