3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C18H18F3N3OS — CID 86708201

IUPAC3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCn1c(-c2ccccc2SCC)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C18H18F3N3OS/c1-3-25-11-24-16(13-7-5-6-8-15(13)26-4-2)23-14-9-12(18(19,20)21)10-22-17(14)24/h5-10H,3-4,11H2,1-2H3
InChIKeyKYQUQMZKAOAUOI-UHFFFAOYSA-N
MW381.42 g/mol
LogP5.22
Rot. Bonds6

About 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 86708201) has the molecular formula C18H18F3N3OS and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID86708201
Molecular FormulaC18H18F3N3OS
Molecular Weight381.42 g/mol
Exact Mass381.11
IUPAC Name3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCOCn1c(-c2ccccc2SCC)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C18H18F3N3OS/c1-3-25-11-24-16(13-7-5-6-8-15(13)26-4-2)23-14-9-12(18(19,20)21)10-22-17(14)24/h5-10H,3-4,11H2,1-2H3
InChIKeyKYQUQMZKAOAUOI-UHFFFAOYSA-N
XLogP5.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134524965
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(2-ethylsulfanylphenyl)-6-isocyano-3-methylimidazo[4,5-b]pyridine
CID 123759581
2-(2-ethylsulfanylphenyl)-7-(trifluoromethyl)quinazoline
CID 118035584
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
1-ethyl-5-ethylsulfanyl-3-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-one
CID 137380193
2-(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 155390432
2-chloro-4-ethylsulfanyl-N,N-dihydroxy-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]aniline
CID 162611112
2-(3-ethylsulfanyl-5-methyl-2-pyridinyl)-3-methylimidazo[4,5-b]pyridine-6-thiol;2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridine-6-thiol
CID 160561559
2-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]acetic acid
CID 175052393

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 86708201) is 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCOCn1c(-c2ccccc2SCC)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is KYQUQMZKAOAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3OS/c1-3-25-11-24-16(13-7-5-6-8-15(13)26-4-2)23-14-9-12(18(19,20)21)10-22-17(14)24/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 381.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 86708201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).