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

C15H13F3N4OS — CID 147403978

IUPAC5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol
SMILESCCSc1cc(O)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C15H13F3N4OS/c1-3-24-11-5-9(23)7-19-12(11)14-21-10-4-8(15(16,17)18)6-20-13(10)22(14)2/h4-7,23H,3H2,1-2H3
InChIKeyDPHOPMBWVJQHGL-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.87
Rot. Bonds3

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

5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol (PubChem CID 147403978) 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-b]pyridin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol
PubChem CID147403978
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol
SMILESCCSc1cc(O)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C15H13F3N4OS/c1-3-24-11-5-9(23)7-19-12(11)14-21-10-4-8(15(16,17)18)6-20-13(10)22(14)2/h4-7,23H,3H2,1-2H3
InChIKeyDPHOPMBWVJQHGL-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-b]pyridin-2-yl]pyridin-3-ol with MolForge

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Related Compounds

4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 57713027
[4-[3-Methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl] hypofluorite
CID 66614315
1-[2-(2-ethylsulfanyl-phenyl)-3-methyl-3H-imidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoro-ethanol
CID 67981185
1-[[4-Propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]pyrrolo[2,3-b]pyridin-5-ol
CID 68177542
2-[5-(Difluoromethoxy)-3-ethylsulfanyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117781020
2-(3-Ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
CID 118584490
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
3-Ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline
CID 129100098
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

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol?
The IUPAC name of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol (CID 147403978) is 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol?
The canonical SMILES for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol is CCSc1cc(O)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-ol?
The InChIKey is DPHOPMBWVJQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-3-24-11-5-9(23)7-19-12(11)14-21-10-4-8(15(16,17)18)6-20-13(10)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-b]pyridin-2-yl]pyridin-3-ol?
5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]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-b]pyridin-2-yl]pyridin-3-ol is sourced from PubChem (CID 147403978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).