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

C25H35FN4O5Si — CID 163295890

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

methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate (PubChem CID 163295890) has the molecular formula C25H35FN4O5Si and a molecular weight of 518.66 g/mol. Its IUPAC name is methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate
• PubChem CID: 163295890
• Molecular Formula: C25H35FN4O5Si
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.24
• IUPAC Name: methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate
• SMILES: COC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3F)n(COCC[Si](C)(C)C)n2)C2(CC2)C1
• InChI: InChI=1S/C25H35FN4O5Si/c1-33-22-12-18(19(26)15-27-22)21-13-20(28-30(21)16-35-10-11-36(3,4)5)23(31)29-9-6-17(24(32)34-2)14-25(29)7-8-25/h12-13,15,17H,6-11,14,16H2,1-5H3
• InChIKey: LOUQAKAXZIDZRT-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 95.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
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 methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate?

The IUPAC name of methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate (CID 163295890) is methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate.

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

The canonical SMILES for methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate is COC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3F)n(COCC[Si](C)(C)C)n2)C2(CC2)C1.

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

The InChIKey is LOUQAKAXZIDZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O5Si/c1-33-22-12-18(19(26)15-27-22)21-13-20(28-30(21)16-35-10-11-36(3,4)5)23(31)29-9-6-17(24(32)34-2)14-25(29)7-8-25/h12-13,15,17H,6-11,14,16H2,1-5H3.

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

methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate has a molecular weight of 518.66 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate is sourced from PubChem (CID 163295890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).