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

C22H20F3N3O3S — CID 122537288

IUPAC5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3cc4ccccc4cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C22H20F3N3O3S/c1-4-28-18(22(23,24)25)12-16-19(21(28)29)27(3)20(26-16)15-10-13-8-6-7-9-14(13)11-17(15)32(30,31)5-2/h6-12H,4-5H2,1-3H3
InChIKeyGYDVCBYIPSMUOX-UHFFFAOYSA-N
MW463.48 g/mol
LogP4.39
Rot. Bonds4

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

5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 122537288) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID122537288
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC Name5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3cc4ccccc4cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C22H20F3N3O3S/c1-4-28-18(22(23,24)25)12-16-19(21(28)29)27(3)20(26-16)15-10-13-8-6-7-9-14(13)11-17(15)32(30,31)5-2/h6-12H,4-5H2,1-3H3
InChIKeyGYDVCBYIPSMUOX-UHFFFAOYSA-N
XLogP4.39
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 122537288) is 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCn1c(C(F)(F)F)cc2nc(-c3cc4ccccc4cc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is GYDVCBYIPSMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-4-28-18(22(23,24)25)12-16-19(21(28)29)27(3)20(26-16)15-10-13-8-6-7-9-14(13)11-17(15)32(30,31)5-2/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 463.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 122537288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).