2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C20H16F3N3S — CID 121398030

IUPAC2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H16F3N3S/c1-3-27-17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2/h4-11H,3H2,1-2H3
InChIKeyRWMTVWAKWUYMGG-UHFFFAOYSA-N
MW387.43 g/mol
LogP5.92
Rot. Bonds3

About 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 121398030) has the molecular formula C20H16F3N3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID121398030
Molecular FormulaC20H16F3N3S
Molecular Weight387.43 g/mol
Exact Mass387.10
IUPAC Name2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H16F3N3S/c1-3-27-17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2/h4-11H,3H2,1-2H3
InChIKeyRWMTVWAKWUYMGG-UHFFFAOYSA-N
XLogP5.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 121398030) is 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is RWMTVWAKWUYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3S/c1-3-27-17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2/h4-11H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 387.43 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 121398030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).