5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine

C21H18N2O4S2 — CID 122193259

IUPAC5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)cc23)cc1
InChIInChI=1S/C21H18N2O4S2/c1-28(24,25)18-8-6-15(7-9-18)20-14-22-23-11-10-17(13-21(20)23)16-4-3-5-19(12-16)29(2,26)27/h3-14H,1-2H3
InChIKeyGIVLVIYPKNLOMU-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.48
Rot. Bonds4

About 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine

5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine (PubChem CID 122193259) has the molecular formula C21H18N2O4S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
PubChem CID122193259
Molecular FormulaC21H18N2O4S2
Molecular Weight426.52 g/mol
Exact Mass426.07
IUPAC Name5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)cc23)cc1
InChIInChI=1S/C21H18N2O4S2/c1-28(24,25)18-8-6-15(7-9-18)20-14-22-23-11-10-17(13-21(20)23)16-4-3-5-19(12-16)29(2,26)27/h3-14H,1-2H3
InChIKeyGIVLVIYPKNLOMU-UHFFFAOYSA-N
XLogP3.48
TPSA85.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine (CID 122193259) is 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine is CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)cc23)cc1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is GIVLVIYPKNLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S2/c1-28(24,25)18-8-6-15(7-9-18)20-14-22-23-11-10-17(13-21(20)23)16-4-3-5-19(12-16)29(2,26)27/h3-14H,1-2H3.
What are the key properties of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine?
5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 426.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 122193259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).