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

C16H15F2N3O4S — CID 162523930

IUPAC3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOCS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C
InChIInChI=1S/C16H15F2N3O4S/c1-9-7-10(3-4-12(9)26(22,23)8-24-2)14-13-11(5-6-19-14)20-21-15(13)25-16(17)18/h3-7,16H,8H2,1-2H3,(H,20,21)
InChIKeyJZOTVAFYMZGJDA-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.91
Rot. Bonds6

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

3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 162523930) has the molecular formula C16H15F2N3O4S and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID162523930
Molecular FormulaC16H15F2N3O4S
Molecular Weight383.38 g/mol
Exact Mass383.08
IUPAC Name3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOCS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C
InChIInChI=1S/C16H15F2N3O4S/c1-9-7-10(3-4-12(9)26(22,23)8-24-2)14-13-11(5-6-19-14)20-21-15(13)25-16(17)18/h3-7,16H,8H2,1-2H3,(H,20,21)
InChIKeyJZOTVAFYMZGJDA-UHFFFAOYSA-N
XLogP2.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine (CID 162523930) is 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine is COCS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C.
What is the InChIKey of 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is JZOTVAFYMZGJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O4S/c1-9-7-10(3-4-12(9)26(22,23)8-24-2)14-13-11(5-6-19-14)20-21-15(13)25-16(17)18/h3-7,16H,8H2,1-2H3,(H,20,21).
What are the key properties of 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine?
3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 383.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-[4-(methoxymethylsulfonyl)-3-methylphenyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162523930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).