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

C14H11F3N4S — CID 66600646

IUPAC3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H11F3N4S/c1-21-12(9-3-4-18-7-11(9)22-2)20-10-5-8(14(15,16)17)6-19-13(10)21/h3-7H,1-2H3
InChIKeyHERXWVZDPRGMGG-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.77
Rot. Bonds2

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

3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 66600646) has the molecular formula C14H11F3N4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID66600646
Molecular FormulaC14H11F3N4S
Molecular Weight324.33 g/mol
Exact Mass324.07
IUPAC Name3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H11F3N4S/c1-21-12(9-3-4-18-7-11(9)22-2)20-10-5-8(14(15,16)17)6-19-13(10)21/h3-7H,1-2H3
InChIKeyHERXWVZDPRGMGG-UHFFFAOYSA-N
XLogP3.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600622
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine
CID 58056791
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
CID 137468253
N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
CID 88586574
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-ethyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-6-(trifluoromethyl)benzenethiol
CID 118035350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 66600646) is 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is HERXWVZDPRGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S/c1-21-12(9-3-4-18-7-11(9)22-2)20-10-5-8(14(15,16)17)6-19-13(10)21/h3-7H,1-2H3.
What are the key properties of 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 324.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 66600646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).