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

C21H24Cl2N4O — CID 25070740

IUPAC4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4O/c22-17-5-3-6-19(21(17)23)26-14-12-25(13-15-26)10-1-2-16-28-20-7-4-11-27-18(20)8-9-24-27/h3-9,11H,1-2,10,12-16H2
InChIKeyWUVBFCGMNNHUHJ-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.62
Rot. Bonds7

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

4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25070740) has the molecular formula C21H24Cl2N4O and a molecular weight of 419.36 g/mol. Its IUPAC name is 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25070740
Molecular FormulaC21H24Cl2N4O
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4O/c22-17-5-3-6-19(21(17)23)26-14-12-25(13-15-26)10-1-2-16-28-20-7-4-11-27-18(20)8-9-24-27/h3-9,11H,1-2,10,12-16H2
InChIKeyWUVBFCGMNNHUHJ-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 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25070740) is 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is Clc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl.
What is the InChIKey of 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is WUVBFCGMNNHUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O/c22-17-5-3-6-19(21(17)23)26-14-12-25(13-15-26)10-1-2-16-28-20-7-4-11-27-18(20)8-9-24-27/h3-9,11H,1-2,10,12-16H2.
What are the key properties of 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
4-[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 4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25070740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).