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

C14H11F3N4OS — CID 66600622

IUPAC3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ccncc2S(C)=O)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C14H11F3N4OS/c1-21-12(9-3-4-18-7-11(9)23(2)22)20-10-5-8(14(15,16)17)6-19-13(10)21/h3-7H,1-2H3
InChIKeyYHSPFTJJMARODH-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.79
Rot. Bonds2

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

3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 66600622) has the molecular formula C14H11F3N4OS and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID66600622
Molecular FormulaC14H11F3N4OS
Molecular Weight340.33 g/mol
Exact Mass340.06
IUPAC Name3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ccncc2S(C)=O)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C14H11F3N4OS/c1-21-12(9-3-4-18-7-11(9)23(2)22)20-10-5-8(14(15,16)17)6-19-13(10)21/h3-7H,1-2H3
InChIKeyYHSPFTJJMARODH-UHFFFAOYSA-N
XLogP2.79
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600646
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
CID 88586574
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
3,6-dimethyl-2-[3-(trifluoromethylsulfanyl)-4-pyridinyl]imidazo[4,5-b]pyridine
CID 58056791
[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
CID 137468253
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 66600622) is 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is Cn1c(-c2ccncc2S(C)=O)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is YHSPFTJJMARODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4OS/c1-21-12(9-3-4-18-7-11(9)23(2)22)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-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 340.33 g/mol, XLogP of 2.79, 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-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 66600622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).