6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde

C23H28N4O3 — CID 25072941

IUPAC6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1
InChIInChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-22(23)26-13-11-25(12-14-26)10-4-5-15-30-20-8-9-21-19(18-28)16-24-27(21)17-20/h2-3,6-9,16-18H,4-5,10-15H2,1H3
InChIKeyZYJQELHTQSMKFH-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.14
Rot. Bonds9

About 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde

6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 25072941) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID25072941
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1
InChIInChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-22(23)26-13-11-25(12-14-26)10-4-5-15-30-20-8-9-21-19(18-28)16-24-27(21)17-20/h2-3,6-9,16-18H,4-5,10-15H2,1H3
InChIKeyZYJQELHTQSMKFH-UHFFFAOYSA-N
XLogP3.14
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 25072941) is 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde is COc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1.
What is the InChIKey of 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is ZYJQELHTQSMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-22(23)26-13-11-25(12-14-26)10-4-5-15-30-20-8-9-21-19(18-28)16-24-27(21)17-20/h2-3,6-9,16-18H,4-5,10-15H2,1H3.
What are the key properties of 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 408.50 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 25072941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).