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

C22H28N4O2 — CID 25070418

IUPAC2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2cc3ccccn3n2)CC1
InChIInChI=1S/C22H28N4O2/c1-27-21-10-3-2-9-20(21)25-15-13-24(14-16-25)11-6-7-17-28-22-18-19-8-4-5-12-26(19)23-22/h2-5,8-10,12,18H,6-7,11,13-17H2,1H3
InChIKeyCBOTYTKOHCNHOZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.32
Rot. Bonds8

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

2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25070418) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25070418
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2cc3ccccn3n2)CC1
InChIInChI=1S/C22H28N4O2/c1-27-21-10-3-2-9-20(21)25-15-13-24(14-16-25)11-6-7-17-28-22-18-19-8-4-5-12-26(19)23-22/h2-5,8-10,12,18H,6-7,11,13-17H2,1H3
InChIKeyCBOTYTKOHCNHOZ-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25070418) is 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is COc1ccccc1N1CCN(CCCCOc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is CBOTYTKOHCNHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-27-21-10-3-2-9-20(21)25-15-13-24(14-16-25)11-6-7-17-28-22-18-19-8-4-5-12-26(19)23-22/h2-5,8-10,12,18H,6-7,11,13-17H2,1H3.
What are the key properties of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 380.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25070418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).