2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid

C24H33FN4O5Si — CID 175955268

About 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid

2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 175955268) has the molecular formula C24H33FN4O5Si and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
• PubChem CID: 175955268
• Molecular Formula: C24H33FN4O5Si
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.22
• IUPAC Name: 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
• SMILES: COc1cc(-c2cc(C(=O)C3CC34CC(C(=O)O)CCN4)nn2COCC[Si](C)(C)C)c(F)cn1
• InChI: InChI=1S/C24H33FN4O5Si/c1-33-21-9-16(18(25)13-26-21)20-10-19(28-29(20)14-34-7-8-35(2,3)4)22(30)17-12-24(17)11-15(23(31)32)5-6-27-24/h9-10,13,15,17,27H,5-8,11-12,14H2,1-4H3,(H,31,32)
• InChIKey: IPRPOYIXENCDLM-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 115.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?

The IUPAC name of 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid (CID 175955268) is 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid.

What is the SMILES notation for 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?

The canonical SMILES for 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid is COc1cc(-c2cc(C(=O)C3CC34CC(C(=O)O)CCN4)nn2COCC[Si](C)(C)C)c(F)cn1.

What is the InChIKey of 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?

The InChIKey is IPRPOYIXENCDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O5Si/c1-33-21-9-16(18(25)13-26-21)20-10-19(28-29(20)14-34-7-8-35(2,3)4)22(30)17-12-24(17)11-15(23(31)32)5-6-27-24/h9-10,13,15,17,27H,5-8,11-12,14H2,1-4H3,(H,31,32).

What are the key properties of 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?

2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 504.64 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 175955268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).