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

C18H16F6N4O3S — CID 121291690

IUPAC4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCOc1nc(C(F)(F)F)cc2nc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)n(C)c12
InChIInChI=1S/C18H16F6N4O3S/c1-4-31-16-14-10(7-12(27-16)18(22,23)24)26-15(28(14)3)13-11(32(29,30)5-2)6-9(8-25-13)17(19,20)21/h6-8H,4-5H2,1-3H3
InChIKeyJSGSAXSYCSJQQT-UHFFFAOYSA-N
MW482.41 g/mol
LogP4.26
Rot. Bonds5

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

4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 121291690) has the molecular formula C18H16F6N4O3S and a molecular weight of 482.41 g/mol. Its IUPAC name is 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID121291690
Molecular FormulaC18H16F6N4O3S
Molecular Weight482.41 g/mol
Exact Mass482.08
IUPAC Name4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCOc1nc(C(F)(F)F)cc2nc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)n(C)c12
InChIInChI=1S/C18H16F6N4O3S/c1-4-31-16-14-10(7-12(27-16)18(22,23)24)26-15(28(14)3)13-11(32(29,30)5-2)6-9(8-25-13)17(19,20)21/h6-8H,4-5H2,1-3H3
InChIKeyJSGSAXSYCSJQQT-UHFFFAOYSA-N
XLogP4.26
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 121291690) is 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCOc1nc(C(F)(F)F)cc2nc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)n(C)c12.
What is the InChIKey of 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is JSGSAXSYCSJQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O3S/c1-4-31-16-14-10(7-12(27-16)18(22,23)24)26-15(28(14)3)13-11(32(29,30)5-2)6-9(8-25-13)17(19,20)21/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 482.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 121291690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).