N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C42H44BBrN12O4 — CID 159764478

About N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 159764478) has the molecular formula C42H44BBrN12O4 and a molecular weight of 871.61 g/mol. Its IUPAC name is N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• PubChem CID: 159764478
• Molecular Formula: C42H44BBrN12O4
• Molecular Weight: 871.61 g/mol
• Exact Mass: 870.29
• IUPAC Name: N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• SMILES: CC(=O)Nc1nc(-c2ccc3nccn3c2)c(-c2cccc(C)n2)[nH]1.CC(=O)Nc1nc(-c2cccc(C)n2)c(Br)[nH]1.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C
• InChI: InChI=1S/C18H16N6O.C13H17BN2O2.C11H11BrN4O/c1-11-4-3-5-14(20-11)17-16(22-18(23-17)21-12(2)25)13-6-7-15-19-8-9-24(15)10-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-6-4-3-5-8(13-6)9-10(12)16-11(15-9)14-7(2)17/h3-10H,1-2H3,(H2,21,22,23,25);5-9H,1-4H3;3-5H,1-2H3,(H2,14,15,16,17)
• InChIKey: NFHZUHWWBSFOLN-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 194.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.61
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The IUPAC name of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 159764478) is N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is CC(=O)Nc1nc(-c2ccc3nccn3c2)c(-c2cccc(C)n2)[nH]1.CC(=O)Nc1nc(-c2cccc(C)n2)c(Br)[nH]1.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.

What is the InChIKey of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The InChIKey is NFHZUHWWBSFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C13H17BN2O2.C11H11BrN4O/c1-11-4-3-5-14(20-11)17-16(22-18(23-17)21-12(2)25)13-6-7-15-19-8-9-24(15)10-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-6-4-3-5-8(13-6)9-10(12)16-11(15-9)14-7(2)17/h3-10H,1-2H3,(H2,21,22,23,25);5-9H,1-4H3;3-5H,1-2H3,(H2,14,15,16,17).

What are the key properties of N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 871.61 g/mol, XLogP of 7.19, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-bromo-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;N-[4-imidazo[1,2-a]pyridin-6-yl-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159764478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).