3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate

C₂₃H₂₇N₃O₅ — CID 139602299

About 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate

3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate (PubChem CID 139602299) has the molecular formula C₂₃H₂₇N₃O₅ and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate.

Molecular Properties

• Compound Name: 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate
• PubChem CID: 139602299
• Molecular Formula: C₂₃H₂₇N₃O₅
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.20
• IUPAC Name: 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate
• SMILES: COCCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1c(C(C)C)nn2ccccc12
• InChI: InChI=1S/C23H27N3O5/c1-13(2)21-19(16-9-7-8-10-26(16)25-21)20-17(22(27)30-6)14(3)24-15(4)18(20)23(28)31-12-11-29-5/h7-10,13H,11-12H2,1-6H3
• InChIKey: IUICGYNQQROGSR-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 92.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?

The IUPAC name of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate (CID 139602299) is 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate.

What is the SMILES notation for 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?

The canonical SMILES for 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate is COCCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1c(C(C)C)nn2ccccc12.

What is the InChIKey of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?

The InChIKey is IUICGYNQQROGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-13(2)21-19(16-9-7-8-10-26(16)25-21)20-17(22(27)30-6)14(3)24-15(4)18(20)23(28)31-12-11-29-5/h7-10,13H,11-12H2,1-6H3.

What are the key properties of 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate?

3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-O-(2-methoxyethyl) 5-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 139602299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139602299 — identifiers, structure, computed properties (public domain)

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