6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine

C24H26N6O — CID 131673667

IUPAC6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine
SMILESCOc1ccccc1-c1ccc2c(C3CN(Cc4ccccn4)CCN3C)nnn2c1
InChIInChI=1S/C24H26N6O/c1-28-13-14-29(16-19-7-5-6-12-25-19)17-22(28)24-21-11-10-18(15-30(21)27-26-24)20-8-3-4-9-23(20)31-2/h3-12,15,22H,13-14,16-17H2,1-2H3
InChIKeyOOQGAQCULDIUIK-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.29
Rot. Bonds5

About 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine

6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine (PubChem CID 131673667) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine
PubChem CID131673667
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine
SMILESCOc1ccccc1-c1ccc2c(C3CN(Cc4ccccn4)CCN3C)nnn2c1
InChIInChI=1S/C24H26N6O/c1-28-13-14-29(16-19-7-5-6-12-25-19)17-22(28)24-21-11-10-18(15-30(21)27-26-24)20-8-3-4-9-23(20)31-2/h3-12,15,22H,13-14,16-17H2,1-2H3
InChIKeyOOQGAQCULDIUIK-UHFFFAOYSA-N
XLogP3.29
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine (CID 131673667) is 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine is COc1ccccc1-c1ccc2c(C3CN(Cc4ccccn4)CCN3C)nnn2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine?
The InChIKey is OOQGAQCULDIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-28-13-14-29(16-19-7-5-6-12-25-19)17-22(28)24-21-11-10-18(15-30(21)27-26-24)20-8-3-4-9-23(20)31-2/h3-12,15,22H,13-14,16-17H2,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine?
6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine has a molecular weight of 414.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 131673667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).