azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine

C16H19N3O2S2 — CID 134715341

IUPACazane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine
SMILESCSc1nn2c(C)cc(C)cc2c1S(=O)(=O)c1ccccc1.N
InChIInChI=1S/C16H16N2O2S2.H3N/c1-11-9-12(2)18-14(10-11)15(16(17-18)21-3)22(19,20)13-7-5-4-6-8-13;/h4-10H,1-3H3;1H3
InChIKeyOCNFRNNUQABYAD-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.67
Rot. Bonds3

About azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine

azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine (PubChem CID 134715341) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameazane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine
PubChem CID134715341
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Nameazane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine
SMILESCSc1nn2c(C)cc(C)cc2c1S(=O)(=O)c1ccccc1.N
InChIInChI=1S/C16H16N2O2S2.H3N/c1-11-9-12(2)18-14(10-11)15(16(17-18)21-3)22(19,20)13-7-5-4-6-8-13;/h4-10H,1-3H3;1H3
InChIKeyOCNFRNNUQABYAD-UHFFFAOYSA-N
XLogP3.67
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine 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 azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine?
The IUPAC name of azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine (CID 134715341) is azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine?
The canonical SMILES for azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine is CSc1nn2c(C)cc(C)cc2c1S(=O)(=O)c1ccccc1.N.
What is the InChIKey of azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine?
The InChIKey is OCNFRNNUQABYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2.H3N/c1-11-9-12(2)18-14(10-11)15(16(17-18)21-3)22(19,20)13-7-5-4-6-8-13;/h4-10H,1-3H3;1H3.
What are the key properties of azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine?
azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine has a molecular weight of 349.48 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134715341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).