4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine

C22H18N6OS — CID 58404759

About 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine

4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine (PubChem CID 58404759) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine
• PubChem CID: 58404759
• Molecular Formula: C22H18N6OS
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.13
• IUPAC Name: 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnc(-c4ccsc4)n3C)c12
• InChI: InChI=1S/C22H18N6OS/c1-26-12-18(10-24-26)17-8-20(29-3)21-15(9-25-28(21)13-17)4-5-19-11-23-22(27(19)2)16-6-7-30-14-16/h6-14H,1-3H3
• InChIKey: RROYRMXPXHIPFA-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 62.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?

The IUPAC name of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine (CID 58404759) is 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?

The canonical SMILES for 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnc(-c4ccsc4)n3C)c12.

What is the InChIKey of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?

The InChIKey is RROYRMXPXHIPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-26-12-18(10-24-26)17-8-20(29-3)21-15(9-25-28(21)13-17)4-5-19-11-23-22(27(19)2)16-6-7-30-14-16/h6-14H,1-3H3.

What are the key properties of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?

4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine has a molecular weight of 414.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58404759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).