6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine

C16H14F3N3O3S — CID 155386037

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine
SMILESCCS(=O)(=O)Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21
InChIInChI=1S/C16H14F3N3O3S/c1-2-26(23,24)9-22-14-5-11(7-20-13(14)8-21-22)10-3-4-12(17)15(6-10)25-16(18)19/h3-8,16H,2,9H2,1H3
InChIKeyMMCWMUIFDBSIJB-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.23
Rot. Bonds6

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155386037) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155386037
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine
SMILESCCS(=O)(=O)Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21
InChIInChI=1S/C16H14F3N3O3S/c1-2-26(23,24)9-22-14-5-11(7-20-13(14)8-21-22)10-3-4-12(17)15(6-10)25-16(18)19/h3-8,16H,2,9H2,1H3
InChIKeyMMCWMUIFDBSIJB-UHFFFAOYSA-N
XLogP3.23
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine (CID 155386037) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine is CCS(=O)(=O)Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is MMCWMUIFDBSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-2-26(23,24)9-22-14-5-11(7-20-13(14)8-21-22)10-3-4-12(17)15(6-10)25-16(18)19/h3-8,16H,2,9H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 385.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155386037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).