8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H24N6O2S — CID 59612339

IUPAC8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCNCC5)c4)nc23)cc1
InChIInChI=1S/C23H24N6O2S/c1-32(30,31)20-9-7-17(8-10-20)21-6-3-13-29-22(21)26-23(27-29)25-18-4-2-5-19(16-18)28-14-11-24-12-15-28/h2-10,13,16,24H,11-12,14-15H2,1H3,(H,25,27)
InChIKeyQZQNIZMXGYSGDX-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.95
Rot. Bonds5

About 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612339) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612339
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCNCC5)c4)nc23)cc1
InChIInChI=1S/C23H24N6O2S/c1-32(30,31)20-9-7-17(8-10-20)21-6-3-13-29-22(21)26-23(27-29)25-18-4-2-5-19(16-18)28-14-11-24-12-15-28/h2-10,13,16,24H,11-12,14-15H2,1H3,(H,25,27)
InChIKeyQZQNIZMXGYSGDX-UHFFFAOYSA-N
XLogP2.95
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612339) is 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCNCC5)c4)nc23)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is QZQNIZMXGYSGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-32(30,31)20-9-7-17(8-10-20)21-6-3-13-29-22(21)26-23(27-29)25-18-4-2-5-19(16-18)28-14-11-24-12-15-28/h2-10,13,16,24H,11-12,14-15H2,1H3,(H,25,27).
What are the key properties of 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 448.55 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-N-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).