5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H23Cl2N5O — CID 25071692

About 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 25071692) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 25071692
• Molecular Formula: C22H23Cl2N5O
• Molecular Weight: 444.37 g/mol
• Exact Mass: 443.13
• IUPAC Name: 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
• InChI: InChI=1S/C22H23Cl2N5O/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-30-18-6-8-29-21(14-18)17(15-25)16-26-29/h3-6,8,14,16H,1-2,7,9-13H2
• InChIKey: JERZBICCWPTZQV-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 56.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.37
LogP ≤ 5	4.49
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 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 25071692) is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12.

What is the InChIKey of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is JERZBICCWPTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-30-18-6-8-29-21(14-18)17(15-25)16-26-29/h3-6,8,14,16H,1-2,7,9-13H2.

What are the key properties of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 444.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 25071692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).