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

C15H13F3N4O3S — CID 137303411

IUPAC5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
SMILESCCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C15H13F3N4O3S/c1-3-26(24,25)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
InChIKeyBJRKQZOWZMYZAH-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.55
Rot. Bonds3

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

5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol (PubChem CID 137303411) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
PubChem CID137303411
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
SMILESCCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C15H13F3N4O3S/c1-3-26(24,25)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
InChIKeyBJRKQZOWZMYZAH-UHFFFAOYSA-N
XLogP2.55
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The IUPAC name of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol (CID 137303411) is 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The canonical SMILES for 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol is CCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The InChIKey is BJRKQZOWZMYZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-3-26(24,25)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-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol has a molecular weight of 386.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol is sourced from PubChem (CID 137303411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).