5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol

C15H13F3N4OS — CID 136933492

IUPAC5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
SMILESCCSc1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C15H13F3N4OS/c1-3-24-11-4-8(23)6-20-13(11)14-21-9-5-12(15(16,17)18)19-7-10(9)22(14)2/h4-7,23H,3H2,1-2H3
InChIKeyNHNHLLQKKKFTSL-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.87
Rot. Bonds3

About 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol

5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol (PubChem CID 136933492) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
PubChem CID136933492
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
SMILESCCSc1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C15H13F3N4OS/c1-3-24-11-4-8(23)6-20-13(11)14-21-9-5-12(15(16,17)18)19-7-10(9)22(14)2/h4-7,23H,3H2,1-2H3
InChIKeyNHNHLLQKKKFTSL-UHFFFAOYSA-N
XLogP3.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol with MolForge

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Related Compounds

2-[5-(Difluoromethoxy)-3-ethylsulfanyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117781020
2-[5-(Difluoromethoxy)-3-ethylsulfonyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117814335
2-(3-Ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
CID 118584490
6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
CID 121405285
6-(Difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]-3-methylimidazo[4,5-c]pyridine
CID 121458111
2-[5-(Difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 123197728
2-[3-Ethylsulfanyl-5-(2-methylprop-2-enoxy)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 132200225
2-[5-Ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]oxyacetonitrile
CID 135368070
2-[5-(1,3-Difluoropropan-2-yloxy)-3-ethylsulfonylpyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368089
2-[5-Ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]oxy-2-methylpropanenitrile
CID 135368091
2-[3-Ethylsulfonyl-5-(2-methylsulfanylethoxy)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368093
3-[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]oxycyclobutan-1-ol
CID 135368111

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The IUPAC name of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol (CID 136933492) is 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The canonical SMILES for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol is CCSc1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The InChIKey is NHNHLLQKKKFTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-3-24-11-4-8(23)6-20-13(11)14-21-9-5-12(15(16,17)18)19-7-10(9)22(14)2/h4-7,23H,3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol has a molecular weight of 354.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol is sourced from PubChem (CID 136933492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).