3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine

C14H11F3N4S — CID 58056791

IUPAC3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(-c1ccncc1SC(F)(F)F)n2C
InChIInChI=1S/C14H11F3N4S/c1-8-5-10-13(19-6-8)21(2)12(20-10)9-3-4-18-7-11(9)22-14(15,16)17/h3-7H,1-2H3
InChIKeyUKAGWTVPJVADBS-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.95
Rot. Bonds2

About 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine

3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine (PubChem CID 58056791) has the molecular formula C14H11F3N4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine
PubChem CID58056791
Molecular FormulaC14H11F3N4S
Molecular Weight324.33 g/mol
Exact Mass324.07
IUPAC Name3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(-c1ccncc1SC(F)(F)F)n2C
InChIInChI=1S/C14H11F3N4S/c1-8-5-10-13(19-6-8)21(2)12(20-10)9-3-4-18-7-11(9)22-14(15,16)17/h3-7H,1-2H3
InChIKeyUKAGWTVPJVADBS-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600646
2-(3-ethynyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056866
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806
3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600622
2-(2,4-dimethylphenyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 129215296
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-[3-(2-fluoroethylsulfanyl)-4-pyridinyl]-1,5-dimethylbenzimidazole
CID 58056769
2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine
CID 57345416
N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
CID 88586574
2-chloro-3,6-dimethylimidazo[4,5-b]pyridine
CID 14929597

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine (CID 58056791) is 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(-c1ccncc1SC(F)(F)F)n2C.
What is the InChIKey of 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine?
The InChIKey is UKAGWTVPJVADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S/c1-8-5-10-13(19-6-8)21(2)12(20-10)9-3-4-18-7-11(9)22-14(15,16)17/h3-7H,1-2H3.
What are the key properties of 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine?
3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine has a molecular weight of 324.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 58056791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).