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

C26H32N6OSi — CID 153434240

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

2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434240) has the molecular formula C26H32N6OSi and a molecular weight of 472.67 g/mol. Its IUPAC name is 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 153434240
• Molecular Formula: C26H32N6OSi
• Molecular Weight: 472.67 g/mol
• Exact Mass: 472.24
• IUPAC Name: 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: [C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(COCC[Si](C)(C)C)c3C(C)C)cn12
• InChI: InChI=1S/C26H32N6OSi/c1-18(2)26-24(20-11-12-22-28-15-23(27-4)31(22)16-20)25(21-10-8-9-19(3)29-21)30-32(26)17-33-13-14-34(5,6)7/h8-12,15-16,18H,13-14,17H2,1-3,5-7H3
• InChIKey: HTYXFFOBZMGYSX-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 61.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.67
LogP ≤ 5	6.55
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-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434240) is 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

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

The canonical SMILES for 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is [C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(COCC[Si](C)(C)C)c3C(C)C)cn12.

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

The InChIKey is HTYXFFOBZMGYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6OSi/c1-18(2)26-24(20-11-12-22-28-15-23(27-4)31(22)16-20)25(21-10-8-9-19(3)29-21)30-32(26)17-33-13-14-34(5,6)7/h8-12,15-16,18H,13-14,17H2,1-3,5-7H3.

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

2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 472.67 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).