5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide

C81H83BBrF2I6N18O7- — CID 159190139

About 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide (PubChem CID 159190139) has the molecular formula C81H83BBrF2I6N18O7- and a molecular weight of 2310.81 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide.

Molecular Properties

• Compound Name: 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide
• PubChem CID: 159190139
• Molecular Formula: C81H83BBrF2I6N18O7-
• Molecular Weight: 2310.81 g/mol
• Exact Mass: 2309.02
• IUPAC Name: 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide
• SMILES: CC(C)(C)I.CC(C)(I)CI.Fc1cccc(-c2cncc3[nH]c(-c4nn(C5CCCCO5)c5ncc(-c6cccnc6)cc45)nc23)c1.I[I-]I.Nc1cncc(-c2cccc(F)c2)c1N.O=Cc1nn(C2CCCCO2)c2ncc(-c3cccnc3)cc12.O=Cc1nn(C2CCCCO2)c2ncc(Br)cc12.OB(O)c1cccnc1
• InChI: InChI=1S/C28H22FN7O.C17H16N4O2.C12H12BrN3O2.C11H10FN3.C5H6BNO2.C4H8I2.C4H9I.I3/c29-20-7-3-5-17(11-20)22-15-31-16-23-25(22)34-27(33-23)26-21-12-19(18-6-4-9-30-13-18)14-32-28(21)36(35-26)24-8-1-2-10-37-24;22-11-15-14-8-13(12-4-3-6-18-9-12)10-19-17(14)21(20-15)16-5-1-2-7-23-16;13-8-5-9-10(7-17)15-16(12(9)14-6-8)11-3-1-2-4-18-11;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;8-6(9)5-2-1-3-7-4-5;1-4(2,6)3-5;1-4(2,3)5;1-3-2/h3-7,9,11-16,24H,1-2,8,10H2,(H,33,34);3-4,6,8-11,16H,1-2,5,7H2;5-7,11H,1-4H2;1-6H,13H2,(H2,14,15);1-4,8-9H;3H2,1-2H3;1-3H3;/q;;;;;;;-1
• InChIKey: SFYXTKPBJOHLJR-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 339.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.81
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide?

The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide (CID 159190139) is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide.

What is the SMILES notation for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide?

The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide is CC(C)(C)I.CC(C)(I)CI.Fc1cccc(-c2cncc3[nH]c(-c4nn(C5CCCCO5)c5ncc(-c6cccnc6)cc45)nc23)c1.I[I-]I.Nc1cncc(-c2cccc(F)c2)c1N.O=Cc1nn(C2CCCCO2)c2ncc(-c3cccnc3)cc12.O=Cc1nn(C2CCCCO2)c2ncc(Br)cc12.OB(O)c1cccnc1.

What is the InChIKey of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide?

The InChIKey is SFYXTKPBJOHLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7O.C17H16N4O2.C12H12BrN3O2.C11H10FN3.C5H6BNO2.C4H8I2.C4H9I.I3/c29-20-7-3-5-17(11-20)22-15-31-16-23-25(22)34-27(33-23)26-21-12-19(18-6-4-9-30-13-18)14-32-28(21)36(35-26)24-8-1-2-10-37-24;22-11-15-14-8-13(12-4-3-6-18-9-12)10-19-17(14)21(20-15)16-5-1-2-7-23-16;13-8-5-9-10(7-17)15-16(12(9)14-6-8)11-3-1-2-4-18-11;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;8-6(9)5-2-1-3-7-4-5;1-4(2,6)3-5;1-4(2,3)5;1-3-2/h3-7,9,11-16,24H,1-2,8,10H2,(H,33,34);3-4,6,8-11,16H,1-2,5,7H2;5-7,11H,1-4H2;1-6H,13H2,(H2,14,15);1-4,8-9H;3H2,1-2H3;1-3H3;/q;;;;;;;-1.

What are the key properties of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide?

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide has a molecular weight of 2310.81 g/mol, XLogP of 16.09, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1,2-diiodo-2-methylpropane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[5,4-b]pyridine;5-(3-fluorophenyl)pyridine-3,4-diamine;2-iodo-2-methylpropane;1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carbaldehyde;pyridin-3-ylboronic acid;triiodide is sourced from PubChem (CID 159190139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).