2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C16H13F5N4O2S — CID 123197728

IUPAC2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)c1cc(OC(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C16H13F5N4O2S/c1-3-28(26)11-4-8(27-15(17)18)6-23-13(11)14-24-9-5-12(16(19,20)21)22-7-10(9)25(14)2/h4-7,15H,3H2,1-2H3
InChIKeyQXWINXZVGFSWEU-UHFFFAOYSA-N
MW420.36 g/mol
LogP3.78
Rot. Bonds5

About 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 123197728) has the molecular formula C16H13F5N4O2S and a molecular weight of 420.36 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID123197728
Molecular FormulaC16H13F5N4O2S
Molecular Weight420.36 g/mol
Exact Mass420.07
IUPAC Name2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)c1cc(OC(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C16H13F5N4O2S/c1-3-28(26)11-4-8(27-15(17)18)6-23-13(11)14-24-9-5-12(16(19,20)21)22-7-10(9)25(14)2/h4-7,15H,3H2,1-2H3
InChIKeyQXWINXZVGFSWEU-UHFFFAOYSA-N
XLogP3.78
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 123197728) is 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)c1cc(OC(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is QXWINXZVGFSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O2S/c1-3-28(26)11-4-8(27-15(17)18)6-23-13(11)14-24-9-5-12(16(19,20)21)22-7-10(9)25(14)2/h4-7,15H,3H2,1-2H3.
What are the key properties of 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 420.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 123197728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).