2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C16H12F3N3O3S2 — CID 142460868

IUPAC2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12
InChIInChI=1S/C16H12F3N3O3S2/c1-3-27(23,24)14-12-10(4-5-25-12)26-13(14)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeyDWOPJXIDWJCWTR-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.26
Rot. Bonds3

About 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 142460868) has the molecular formula C16H12F3N3O3S2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID142460868
Molecular FormulaC16H12F3N3O3S2
Molecular Weight415.42 g/mol
Exact Mass415.03
IUPAC Name2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12
InChIInChI=1S/C16H12F3N3O3S2/c1-3-27(23,24)14-12-10(4-5-25-12)26-13(14)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3
InChIKeyDWOPJXIDWJCWTR-UHFFFAOYSA-N
XLogP4.26
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 142460868) is 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccoc12.
What is the InChIKey of 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is DWOPJXIDWJCWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S2/c1-3-27(23,24)14-12-10(4-5-25-12)26-13(14)15-21-8-6-11(16(17,18)19)20-7-9(8)22(15)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 415.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfonylthieno[3,2-b]furan-5-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 142460868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).