3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C24H23IN8O2 — CID 159218471

About 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 159218471) has the molecular formula C24H23IN8O2 and a molecular weight of 582.41 g/mol. Its IUPAC name is 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 159218471
• Molecular Formula: C24H23IN8O2
• Molecular Weight: 582.41 g/mol
• Exact Mass: 582.10
• IUPAC Name: 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2cnn(C)c2)cn2ncc(I)c12.COc1cc(-c2cnn(C)c2)cn2nccc12
• InChI: InChI=1S/C12H11IN4O.C12H12N4O/c1-16-6-9(4-14-16)8-3-11(18-2)12-10(13)5-15-17(12)7-8;1-15-7-10(6-14-15)9-5-12(17-2)11-3-4-13-16(11)8-9/h3-7H,1-2H3;3-8H,1-2H3
• InChIKey: KRJMLHALEBAUEU-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 88.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.41
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 159218471) is 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

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

The canonical SMILES for 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(I)c12.COc1cc(-c2cnn(C)c2)cn2nccc12.

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

The InChIKey is KRJMLHALEBAUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4O.C12H12N4O/c1-16-6-9(4-14-16)8-3-11(18-2)12-10(13)5-15-17(12)7-8;1-15-7-10(6-14-15)9-5-12(17-2)11-3-4-13-16(11)8-9/h3-7H,1-2H3;3-8H,1-2H3.

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

3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 582.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159218471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).