N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H18N4O3S — CID 59612403

IUPACN-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3cccc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1
InChIInChI=1S/C20H18N4O3S/c1-27-16-10-8-15(9-11-16)21-20-22-19-5-3-4-18(24(19)23-20)14-6-12-17(13-7-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
InChIKeyXUBGXENPBVRWAS-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.55
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612403) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612403
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3cccc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1
InChIInChI=1S/C20H18N4O3S/c1-27-16-10-8-15(9-11-16)21-20-22-19-5-3-4-18(24(19)23-20)14-6-12-17(13-7-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
InChIKeyXUBGXENPBVRWAS-UHFFFAOYSA-N
XLogP3.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612403) is N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(Nc2nc3cccc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XUBGXENPBVRWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-27-16-10-8-15(9-11-16)21-20-22-19-5-3-4-18(24(19)23-20)14-6-12-17(13-7-14)28(2,25)26/h3-13H,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 394.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).