methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate

C32H46N2O6Si — CID 174167453

About methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 174167453) has the molecular formula C32H46N2O6Si and a molecular weight of 582.81 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate
• PubChem CID: 174167453
• Molecular Formula: C32H46N2O6Si
• Molecular Weight: 582.81 g/mol
• Exact Mass: 582.31
• IUPAC Name: methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate
• SMILES: COC(=O)c1cccc2cc(CC(OC3CCCC3)C(O[Si](C)(C)C(C)(C)C)c3cc(OC)c(C)c(OC)c3)nn12
• InChI: InChI=1S/C32H46N2O6Si/c1-21-27(36-5)17-22(18-28(21)37-6)30(40-41(8,9)32(2,3)4)29(39-25-14-10-11-15-25)20-23-19-24-13-12-16-26(31(35)38-7)34(24)33-23/h12-13,16-19,25,29-30H,10-11,14-15,20H2,1-9H3
• InChIKey: SEOYFYLTMVEOJX-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 80.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.81
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate?

The IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate (CID 174167453) is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate.

What is the SMILES notation for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate?

The canonical SMILES for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1cccc2cc(CC(OC3CCCC3)C(O[Si](C)(C)C(C)(C)C)c3cc(OC)c(C)c(OC)c3)nn12.

What is the InChIKey of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate?

The InChIKey is SEOYFYLTMVEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O6Si/c1-21-27(36-5)17-22(18-28(21)37-6)30(40-41(8,9)32(2,3)4)29(39-25-14-10-11-15-25)20-23-19-24-13-12-16-26(31(35)38-7)34(24)33-23/h12-13,16-19,25,29-30H,10-11,14-15,20H2,1-9H3.

What are the key properties of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate?

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 582.81 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)propyl]pyrazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 174167453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).