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

C21H22N6O3S — CID 59186503

IUPAC5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2cccc3nc(Nc4cnn(C5CCOCC5)c4)nn23)c1
InChIInChI=1S/C21H22N6O3S/c1-31(28,29)18-5-2-4-15(12-18)19-6-3-7-20-24-21(25-27(19)20)23-16-13-22-26(14-16)17-8-10-30-11-9-17/h2-7,12-14,17H,8-11H2,1H3,(H,23,25)
InChIKeySZNYYKOJCQPZFP-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.09
Rot. Bonds5

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

5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59186503) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59186503
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2cccc3nc(Nc4cnn(C5CCOCC5)c4)nn23)c1
InChIInChI=1S/C21H22N6O3S/c1-31(28,29)18-5-2-4-15(12-18)19-6-3-7-20-24-21(25-27(19)20)23-16-13-22-26(14-16)17-8-10-30-11-9-17/h2-7,12-14,17H,8-11H2,1H3,(H,23,25)
InChIKeySZNYYKOJCQPZFP-UHFFFAOYSA-N
XLogP3.09
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59186503) is 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4cnn(C5CCOCC5)c4)nn23)c1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SZNYYKOJCQPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-31(28,29)18-5-2-4-15(12-18)19-6-3-7-20-24-21(25-27(19)20)23-16-13-22-26(14-16)17-8-10-30-11-9-17/h2-7,12-14,17H,8-11H2,1H3,(H,23,25).
What are the key properties of 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 438.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59186503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).