6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H19N9O — CID 164754963

About 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164754963) has the molecular formula C23H19N9O and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164754963
• Molecular Formula: C23H19N9O
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.17
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCN(c2cnc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C23H19N9O/c1-3-22(33)31-6-4-30(5-7-31)21-13-25-20(12-26-21)19-8-16(18-11-27-29(2)14-18)15-32-23(19)17(9-24)10-28-32/h1,8,10-15H,4-7H2,2H3
• InChIKey: BRYYODJZHIXMAD-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 108.24 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164754963) is 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2cnc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is BRYYODJZHIXMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N9O/c1-3-22(33)31-6-4-30(5-7-31)21-13-25-20(12-26-21)19-8-16(18-11-27-29(2)14-18)15-32-23(19)17(9-24)10-28-32/h1,8,10-15H,4-7H2,2H3.

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

6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 437.47 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164754963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).