5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C18H16F6N4O3S — CID 118865133

IUPAC5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C18H16F6N4O3S/c1-4-28-12(18(22,23)24)7-10-14(16(28)29)27(3)15(26-10)13-11(32(30,31)5-2)6-9(8-25-13)17(19,20)21/h6-8H,4-5H2,1-3H3
InChIKeyCKZIXAGKBAYWKW-UHFFFAOYSA-N
MW482.41 g/mol
LogP3.65
Rot. Bonds4

About 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 118865133) has the molecular formula C18H16F6N4O3S and a molecular weight of 482.41 g/mol. Its IUPAC name is 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID118865133
Molecular FormulaC18H16F6N4O3S
Molecular Weight482.41 g/mol
Exact Mass482.08
IUPAC Name5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C18H16F6N4O3S/c1-4-28-12(18(22,23)24)7-10-14(16(28)29)27(3)15(26-10)13-11(32(30,31)5-2)6-9(8-25-13)17(19,20)21/h6-8H,4-5H2,1-3H3
InChIKeyCKZIXAGKBAYWKW-UHFFFAOYSA-N
XLogP3.65
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 118865133) is 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCn1c(C(F)(F)F)cc2nc(-c3ncc(C(F)(F)F)cc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is CKZIXAGKBAYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O3S/c1-4-28-12(18(22,23)24)7-10-14(16(28)29)27(3)15(26-10)13-11(32(30,31)5-2)6-9(8-25-13)17(19,20)21/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 482.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 118865133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).