8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid

C64H60B3Br2F4N21O6 — CID 157155088

About 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid

8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid (PubChem CID 157155088) has the molecular formula C64H60B3Br2F4N21O6 and a molecular weight of 1487.56 g/mol. Its IUPAC name is 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid.

Molecular Properties

• Compound Name: 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid
• PubChem CID: 157155088
• Molecular Formula: C64H60B3Br2F4N21O6
• Molecular Weight: 1487.56 g/mol
• Exact Mass: 1485.36
• IUPAC Name: 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid
• SMILES: Brc1ccc2nncn2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3F)nn12.Nc1nc(-c2ccc(F)cc2)c(Br)c2nc(Cc3ncccc3F)nn12.OB(O)c1ccc2nncn2c1
• InChI: InChI=1S/C23H15F2N9.C17H11BrF2N6.C12H24B2O4.C6H6BN3O2.C6H4BrN3/c24-15-6-3-13(4-7-15)21-20(14-5-8-19-31-28-12-33(19)11-14)22-29-18(32-34(22)23(26)30-21)10-17-16(25)2-1-9-27-17;18-14-15(9-3-5-10(19)6-4-9)24-17(21)26-16(14)23-13(25-26)8-12-11(20)2-1-7-22-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-7(12)5-1-2-6-9-8-4-10(6)3-5;7-5-1-2-6-9-8-4-10(6)3-5/h1-9,11-12H,10H2,(H2,26,30);1-7H,8H2,(H2,21,24);1-8H3;1-4,11-12H;1-4H
• InChIKey: ALSCHUPYPYTZSF-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 331.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1487.56
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid?

The IUPAC name of 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid (CID 157155088) is 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid.

What is the SMILES notation for 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid?

The canonical SMILES for 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid is Brc1ccc2nncn2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3F)nn12.Nc1nc(-c2ccc(F)cc2)c(Br)c2nc(Cc3ncccc3F)nn12.OB(O)c1ccc2nncn2c1.

What is the InChIKey of 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid?

The InChIKey is ALSCHUPYPYTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N9.C17H11BrF2N6.C12H24B2O4.C6H6BN3O2.C6H4BrN3/c24-15-6-3-13(4-7-15)21-20(14-5-8-19-31-28-12-33(19)11-14)22-29-18(32-34(22)23(26)30-21)10-17-16(25)2-1-9-27-17;18-14-15(9-3-5-10(19)6-4-9)24-17(21)26-16(14)23-13(25-26)8-12-11(20)2-1-7-22-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-7(12)5-1-2-6-9-8-4-10(6)3-5;7-5-1-2-6-9-8-4-10(6)3-5/h1-9,11-12H,10H2,(H2,26,30);1-7H,8H2,(H2,21,24);1-8H3;1-4,11-12H;1-4H.

What are the key properties of 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid?

8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid has a molecular weight of 1487.56 g/mol, XLogP of 8.90, 9 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromo-[1,2,4]triazolo[4,3-a]pyridine;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid is sourced from PubChem (CID 157155088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).