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

C21H24Cl2N4O — CID 25070419

IUPAC2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4O/c22-18-7-5-8-19(21(18)23)26-13-11-25(12-14-26)9-3-4-15-28-20-16-17-6-1-2-10-27(17)24-20/h1-2,5-8,10,16H,3-4,9,11-15H2
InChIKeyANOQJCMMWZANCH-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.62
Rot. Bonds7

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

2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25070419) has the molecular formula C21H24Cl2N4O and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25070419
Molecular FormulaC21H24Cl2N4O
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4O/c22-18-7-5-8-19(21(18)23)26-13-11-25(12-14-26)9-3-4-15-28-20-16-17-6-1-2-10-27(17)24-20/h1-2,5-8,10,16H,3-4,9,11-15H2
InChIKeyANOQJCMMWZANCH-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 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25070419) is 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is Clc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl.
What is the InChIKey of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is ANOQJCMMWZANCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O/c22-18-7-5-8-19(21(18)23)26-13-11-25(12-14-26)9-3-4-15-28-20-16-17-6-1-2-10-27(17)24-20/h1-2,5-8,10,16H,3-4,9,11-15H2.
What are the key properties of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
2-[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 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25070419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).