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

C24H34FN5O4Si — CID 175955332

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

2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175955332) has the molecular formula C24H34FN5O4Si and a molecular weight of 503.65 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-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 175955332
• Molecular Formula: C24H34FN5O4Si
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.24
• IUPAC Name: 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)C3CC34CC(C(N)=O)CCN4)nn2COCC[Si](C)(C)C)c(F)cn1
• InChI: InChI=1S/C24H34FN5O4Si/c1-33-21-9-16(18(25)13-27-21)20-10-19(29-30(20)14-34-7-8-35(2,3)4)22(31)17-12-24(17)11-15(23(26)32)5-6-28-24/h9-10,13,15,17,28H,5-8,11-12,14H2,1-4H3,(H2,26,32)
• InChIKey: FHICDQLCJQGSOP-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 121.36 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	503.65
LogP ≤ 5	2.83
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-carboxamide?

The IUPAC name of 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 175955332) is 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

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-carboxamide?

The canonical SMILES for 2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)C3CC34CC(C(N)=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-carboxamide?

The InChIKey is FHICDQLCJQGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O4Si/c1-33-21-9-16(18(25)13-27-21)20-10-19(29-30(20)14-34-7-8-35(2,3)4)22(31)17-12-24(17)11-15(23(26)32)5-6-28-24/h9-10,13,15,17,28H,5-8,11-12,14H2,1-4H3,(H2,26,32).

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-carboxamide?

2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 503.65 g/mol, XLogP of 2.83, 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-carboxamide is sourced from PubChem (CID 175955332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).