Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C₂₅H₄₂N₄O₅Si — CID 150028180

About Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 150028180) has the molecular formula C₂₅H₄₂N₄O₅Si and a molecular weight of 506.72 g/mol. Its IUPAC name is tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• PubChem CID: 150028180
• Molecular Formula: C₂₅H₄₂N₄O₅Si
• Molecular Weight: 506.72 g/mol
• Exact Mass: 506.29
• IUPAC Name: tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCc2c(c(C(=O)N3CCCOCC34CC4)nn2COCC[Si](C)(C)C)C1
• InChI: InChI=1S/C25H42N4O5Si/c1-24(2,3)34-23(31)27-12-8-20-19(16-27)21(26-29(20)18-33-14-15-35(4,5)6)22(30)28-11-7-13-32-17-25(28)9-10-25/h7-18H2,1-6H3
• InChIKey: DGRNIUXBGHBKDU-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 86.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.72
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The IUPAC name of Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 150028180) is tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

What is the SMILES notation for Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The canonical SMILES for Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2c(c(C(=O)N3CCCOCC34CC4)nn2COCC[Si](C)(C)C)C1.

What is the InChIKey of Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The InChIKey is DGRNIUXBGHBKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O5Si/c1-24(2,3)34-23(31)27-12-8-20-19(16-27)21(26-29(20)18-33-14-15-35(4,5)6)22(30)28-11-7-13-32-17-25(28)9-10-25/h7-18H2,1-6H3.

What are the key properties of Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 506.72 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 150028180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150028180 — identifiers, structure, computed properties (public domain)

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