6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

C21H26N4O — CID 95043010

IUPAC6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCN1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1
InChIInChI=1S/C21H26N4O/c1-3-11-24-12-9-16(10-13-24)21-22-20-8-7-18(15-25(20)23-21)17-5-4-6-19(14-17)26-2/h4-8,14-16H,3,9-13H2,1-2H3
InChIKeyGAHIMUPHXGPTRD-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.99
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 95043010) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID95043010
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCN1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1
InChIInChI=1S/C21H26N4O/c1-3-11-24-12-9-16(10-13-24)21-22-20-8-7-18(15-25(20)23-21)17-5-4-6-19(14-17)26-2/h4-8,14-16H,3,9-13H2,1-2H3
InChIKeyGAHIMUPHXGPTRD-UHFFFAOYSA-N
XLogP3.99
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 95043010) is 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is CCCN1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GAHIMUPHXGPTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-11-24-12-9-16(10-13-24)21-22-20-8-7-18(15-25(20)23-21)17-5-4-6-19(14-17)26-2/h4-8,14-16H,3,9-13H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 350.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 95043010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).