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

C20H18N4O3S — CID 59612628

IUPACN-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)c1
InChIInChI=1S/C20H18N4O3S/c1-27-16-8-4-7-15(13-16)21-20-22-19-11-5-10-18(24(19)23-20)14-6-3-9-17(12-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
InChIKeyPJNQAQRZBKKTCX-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.55
Rot. Bonds5

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

N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612628) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612628
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)c1
InChIInChI=1S/C20H18N4O3S/c1-27-16-8-4-7-15(13-16)21-20-22-19-11-5-10-18(24(19)23-20)14-6-3-9-17(12-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
InChIKeyPJNQAQRZBKKTCX-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612628) is N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PJNQAQRZBKKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-27-16-8-4-7-15(13-16)21-20-22-19-11-5-10-18(24(19)23-20)14-6-3-9-17(12-14)28(2,25)26/h3-13H,1-2H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(3-methoxyphenyl)-5-(3-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-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).