methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C29H33N3O4Si — CID 59313178

About methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 59313178) has the molecular formula C29H33N3O4Si and a molecular weight of 515.69 g/mol. Its IUPAC name is methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
• PubChem CID: 59313178
• Molecular Formula: C29H33N3O4Si
• Molecular Weight: 515.69 g/mol
• Exact Mass: 515.22
• IUPAC Name: methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
• SMILES: COC(=O)c1ccc(OC)c2nc(C3(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)nn12
• InChI: InChI=1S/C29H33N3O4Si/c1-28(2,3)37(21-12-8-6-9-13-21,22-14-10-7-11-15-22)36-20-29(18-19-29)27-30-25-24(34-4)17-16-23(26(33)35-5)32(25)31-27/h6-17H,18-20H2,1-5H3
• InChIKey: UFHWSXJQDHGQKX-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 74.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.69
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

The IUPAC name of methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 59313178) is methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

What is the SMILES notation for methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

The canonical SMILES for methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1ccc(OC)c2nc(C3(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)nn12.

What is the InChIKey of methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

The InChIKey is UFHWSXJQDHGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4Si/c1-28(2,3)37(21-12-8-6-9-13-21,22-14-10-7-11-15-22)36-20-29(18-19-29)27-30-25-24(34-4)17-16-23(26(33)35-5)32(25)31-27/h6-17H,18-20H2,1-5H3.

What are the key properties of methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 515.69 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 59313178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).