3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine

C16H15F2N3O3S — CID 162523946

IUPAC3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C
InChIInChI=1S/C16H15F2N3O3S/c1-3-25(22,23)12-5-4-10(8-9(12)2)14-13-11(6-7-19-14)20-21-15(13)24-16(17)18/h4-8,16H,3H2,1-2H3,(H,20,21)
InChIKeyOQCSTOBABNYFAC-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.33
Rot. Bonds5

About 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine

3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 162523946) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID162523946
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C
InChIInChI=1S/C16H15F2N3O3S/c1-3-25(22,23)12-5-4-10(8-9(12)2)14-13-11(6-7-19-14)20-21-15(13)24-16(17)18/h4-8,16H,3H2,1-2H3,(H,20,21)
InChIKeyOQCSTOBABNYFAC-UHFFFAOYSA-N
XLogP3.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]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 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine (CID 162523946) is 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine is CCS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C.
What is the InChIKey of 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is OQCSTOBABNYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c1-3-25(22,23)12-5-4-10(8-9(12)2)14-13-11(6-7-19-14)20-21-15(13)24-16(17)18/h4-8,16H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine?
3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 367.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-(4-ethylsulfonyl-3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162523946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).