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

C24H19FN6O — CID 58404925

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

3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 58404925) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 58404925
• Molecular Formula: C24H19FN6O
• Molecular Weight: 426.46 g/mol
• Exact Mass: 426.16
• IUPAC Name: 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnn(-c4cccc(F)c4)c3C)c12
• InChI: InChI=1S/C24H19FN6O/c1-16-17(11-28-31(16)22-6-4-5-21(25)10-22)7-8-18-12-27-30-15-19(9-23(32-3)24(18)30)20-13-26-29(2)14-20/h4-6,9-15H,1-3H3
• InChIKey: GYAKKWKKYIQCAF-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 62.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.46
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 58404925) is 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

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

The canonical SMILES for 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnn(-c4cccc(F)c4)c3C)c12.

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

The InChIKey is GYAKKWKKYIQCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-16-17(11-28-31(16)22-6-4-5-21(25)10-22)7-8-18-12-27-30-15-19(9-23(32-3)24(18)30)20-13-26-29(2)14-20/h4-6,9-15H,1-3H3.

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

3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 426.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58404925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).