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

C55H52BBrF2N18O2 — CID 159403971

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

2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 159403971) has the molecular formula C55H52BBrF2N18O2 and a molecular weight of 1125.86 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• PubChem CID: 159403971
• Molecular Formula: C55H52BBrF2N18O2
• Molecular Weight: 1125.86 g/mol
• Exact Mass: 1124.38
• IUPAC Name: 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• SMILES: C.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.Nc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)n1.Nc1cccc(Cc2nc3c(Br)c(-c4ccc(F)cc4)nc(N)n3n2)n1
• InChI: InChI=1S/C24H18FN9.C17H13BrFN7.C13H17BN2O2.CH4/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17;18-14-15(9-4-6-10(19)7-5-9)24-17(21)26-16(14)23-13(25-26)8-11-2-1-3-12(20)22-11;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;/h1-11,13H,12H2,(H2,26,29)(H2,27,31);1-7H,8H2,(H2,20,22)(H2,21,24);5-9H,1-4H3;1H4
• InChIKey: LNSFEKZQFDRAMW-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 269.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.86
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 159403971) is 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

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

The canonical SMILES for 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is C.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.Nc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)n1.Nc1cccc(Cc2nc3c(Br)c(-c4ccc(F)cc4)nc(N)n3n2)n1.

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

The InChIKey is LNSFEKZQFDRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN9.C17H13BrFN7.C13H17BN2O2.CH4/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17;18-14-15(9-4-6-10(19)7-5-9)24-17(21)26-16(14)23-13(25-26)8-11-2-1-3-12(20)22-11;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;/h1-11,13H,12H2,(H2,26,29)(H2,27,31);1-7H,8H2,(H2,20,22)(H2,21,24);5-9H,1-4H3;1H4.

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

2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 1125.86 g/mol, XLogP of 8.51, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-2-pyridinyl)methyl]-8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159403971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).