8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H23N7O2S — CID 67481518

IUPAC8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(C5CCNCC5)c4)nc23)cc1
InChIInChI=1S/C21H23N7O2S/c1-31(29,30)18-6-4-15(5-7-18)19-3-2-12-27-20(19)25-21(26-27)24-16-13-23-28(14-16)17-8-10-22-11-9-17/h2-7,12-14,17,22H,8-11H2,1H3,(H,24,26)
InChIKeyCYKLGXFWQCLCAM-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.66
Rot. Bonds5

About 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67481518) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67481518
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(C5CCNCC5)c4)nc23)cc1
InChIInChI=1S/C21H23N7O2S/c1-31(29,30)18-6-4-15(5-7-18)19-3-2-12-27-20(19)25-21(26-27)24-16-13-23-28(14-16)17-8-10-22-11-9-17/h2-7,12-14,17,22H,8-11H2,1H3,(H,24,26)
InChIKeyCYKLGXFWQCLCAM-UHFFFAOYSA-N
XLogP2.66
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67481518) is 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(C5CCNCC5)c4)nc23)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CYKLGXFWQCLCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-31(29,30)18-6-4-15(5-7-18)19-3-2-12-27-20(19)25-21(26-27)24-16-13-23-28(14-16)17-8-10-22-11-9-17/h2-7,12-14,17,22H,8-11H2,1H3,(H,24,26).
What are the key properties of 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 437.53 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67481518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).