5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C24H25N5O — CID 59589885

IUPAC5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cccc3nc(Cc4ccc(N5CCNCC5)cc4)nn23)cc1
InChIInChI=1S/C24H25N5O/c1-30-21-11-7-19(8-12-21)22-3-2-4-24-26-23(27-29(22)24)17-18-5-9-20(10-6-18)28-15-13-25-14-16-28/h2-12,25H,13-17H2,1H3
InChIKeyJSHAJSCLBUBATI-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.41
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59589885) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59589885
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cccc3nc(Cc4ccc(N5CCNCC5)cc4)nn23)cc1
InChIInChI=1S/C24H25N5O/c1-30-21-11-7-19(8-12-21)22-3-2-4-24-26-23(27-29(22)24)17-18-5-9-20(10-6-18)28-15-13-25-14-16-28/h2-12,25H,13-17H2,1H3
InChIKeyJSHAJSCLBUBATI-UHFFFAOYSA-N
XLogP3.41
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 59589885) is 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(-c2cccc3nc(Cc4ccc(N5CCNCC5)cc4)nn23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JSHAJSCLBUBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-30-21-11-7-19(8-12-21)22-3-2-4-24-26-23(27-29(22)24)17-18-5-9-20(10-6-18)28-15-13-25-14-16-28/h2-12,25H,13-17H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[(4-piperazin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59589885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).