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

C23H25N7O2 — CID 122189391

IUPAC5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1
InChIInChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
InChIKeyUHYDZQALANMGBP-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.10
Rot. Bonds7

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

5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 122189391) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID122189391
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1
InChIInChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
InChIKeyUHYDZQALANMGBP-UHFFFAOYSA-N
XLogP2.10
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 122189391) is 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1.
What is the InChIKey of 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is UHYDZQALANMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3.
What are the key properties of 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 431.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 122189391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).