3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C17H14F6N4S — CID 134524965

IUPAC3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)cnc2n1CC
InChIInChI=1S/C17H14F6N4S/c1-3-27-14-11(5-9(8-25-14)16(18,19)20)26-15(27)13-12(28-4-2)6-10(7-24-13)17(21,22)23/h5-8H,3-4H2,1-2H3
InChIKeyHMZKBTSGPNNKJG-UHFFFAOYSA-N
MW420.38 g/mol
LogP5.66
Rot. Bonds4

About 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 134524965) has the molecular formula C17H14F6N4S and a molecular weight of 420.38 g/mol. Its IUPAC name is 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID134524965
Molecular FormulaC17H14F6N4S
Molecular Weight420.38 g/mol
Exact Mass420.08
IUPAC Name3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)cnc2n1CC
InChIInChI=1S/C17H14F6N4S/c1-3-27-14-11(5-9(8-25-14)16(18,19)20)26-15(27)13-12(28-4-2)6-10(7-24-13)17(21,22)23/h5-8H,3-4H2,1-2H3
InChIKeyHMZKBTSGPNNKJG-UHFFFAOYSA-N
XLogP5.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
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-[3-propan-2-ylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 163649578
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-5-(fluoromethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 151748736
2-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]acetic acid
CID 175052393
1-[2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 137396972
1-ethyl-5-ethylsulfanyl-3-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-one
CID 137380193
3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 86708201
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 90275810
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 145063627
4,7-bis(ethylsulfanyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline
CID 154691028

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 134524965) is 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)cnc2n1CC.
What is the InChIKey of 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is HMZKBTSGPNNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N4S/c1-3-27-14-11(5-9(8-25-14)16(18,19)20)26-15(27)13-12(28-4-2)6-10(7-24-13)17(21,22)23/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 420.38 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134524965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).