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

C21H24Cl2N4O — CID 25071066

IUPAC5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4O/c22-19-4-3-5-20(21(19)23)26-13-11-25(12-14-26)9-1-2-15-28-18-7-10-27-17(16-18)6-8-24-27/h3-8,10,16H,1-2,9,11-15H2
InChIKeyQNWQLJBICCQPMP-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.62
Rot. Bonds7

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

5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25071066) has the molecular formula C21H24Cl2N4O and a molecular weight of 419.36 g/mol. Its IUPAC name is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25071066
Molecular FormulaC21H24Cl2N4O
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4O/c22-19-4-3-5-20(21(19)23)26-13-11-25(12-14-26)9-1-2-15-28-18-7-10-27-17(16-18)6-8-24-27/h3-8,10,16H,1-2,9,11-15H2
InChIKeyQNWQLJBICCQPMP-UHFFFAOYSA-N
XLogP4.62
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25071066) is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl.
What is the InChIKey of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is QNWQLJBICCQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O/c22-19-4-3-5-20(21(19)23)26-13-11-25(12-14-26)9-1-2-15-28-18-7-10-27-17(16-18)6-8-24-27/h3-8,10,16H,1-2,9,11-15H2.
What are the key properties of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 419.36 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 25071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).