2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C23H25BrN6OSi — CID 153434182

About 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434182) has the molecular formula C23H25BrN6OSi and a molecular weight of 509.48 g/mol. Its IUPAC name is 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 153434182
• Molecular Formula: C23H25BrN6OSi
• Molecular Weight: 509.48 g/mol
• Exact Mass: 508.10
• IUPAC Name: 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: [C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(COCC[Si](C)(C)C)c3Br)cn12
• InChI: InChI=1S/C23H25BrN6OSi/c1-16-7-6-8-18(27-16)22-21(17-9-10-19-26-13-20(25-2)29(19)14-17)23(24)30(28-22)15-31-11-12-32(3,4)5/h6-10,13-14H,11-12,15H2,1,3-5H3
• InChIKey: QXVXDQPXZBNOQO-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 61.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.48
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434182) is 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is [C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(COCC[Si](C)(C)C)c3Br)cn12.

What is the InChIKey of 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is QXVXDQPXZBNOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN6OSi/c1-16-7-6-8-18(27-16)22-21(17-9-10-19-26-13-20(25-2)29(19)14-17)23(24)30(28-22)15-31-11-12-32(3,4)5/h6-10,13-14H,11-12,15H2,1,3-5H3.

What are the key properties of 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 509.48 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).