4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H26N6 — CID 155267217

About 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155267217) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155267217
• Molecular Formula: C24H26N6
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.22
• IUPAC Name: 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCCCCC(C)c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C24H26N6/c1-4-5-6-7-17(2)23-9-8-18(12-26-23)22-10-19(21-14-27-29(3)15-21)16-30-24(22)20(11-25)13-28-30/h8-10,12-17H,4-7H2,1-3H3
• InChIKey: IWLQJUFHWKJJMG-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 71.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155267217) is 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CCCCCC(C)c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cn1.

What is the InChIKey of 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is IWLQJUFHWKJJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-4-5-6-7-17(2)23-9-8-18(12-26-23)22-10-19(21-14-27-29(3)15-21)16-30-24(22)20(11-25)13-28-30/h8-10,12-17H,4-7H2,1-3H3.

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

4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 398.51 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155267217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).