6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine

C19H19F3N4O3S — CID 121405283

IUPAC6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
SMILESCCS(=O)(=O)c1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2
InChIInChI=1S/C19H19F3N4O3S/c1-5-30(27,28)14-7-13-11(8-18(2,3)29-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4/h6-7,9H,5,8H2,1-4H3
InChIKeySKUGTUOJVGQXTF-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.56
Rot. Bonds3

About 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine

6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine (PubChem CID 121405283) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
PubChem CID121405283
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
SMILESCCS(=O)(=O)c1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2
InChIInChI=1S/C19H19F3N4O3S/c1-5-30(27,28)14-7-13-11(8-18(2,3)29-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4/h6-7,9H,5,8H2,1-4H3
InChIKeySKUGTUOJVGQXTF-UHFFFAOYSA-N
XLogP3.56
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
The IUPAC name of 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine (CID 121405283) is 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine.
What is the SMILES notation for 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
The canonical SMILES for 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine is CCS(=O)(=O)c1cc2c(nc1-c1nc3cc(C(F)(F)F)ncc3n1C)CC(C)(C)O2.
What is the InChIKey of 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
The InChIKey is SKUGTUOJVGQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-5-30(27,28)14-7-13-11(8-18(2,3)29-13)24-16(14)17-25-10-6-15(19(20,21)22)23-9-12(10)26(17)4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine?
6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine has a molecular weight of 440.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine is sourced from PubChem (CID 121405283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).