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

C15H13F3N4O3S — CID 118584490

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)cnc2n1C
InChIInChI=1S/C15H13F3N4O3S/c1-3-26(23,24)11-5-4-6-19-12(11)14-21-10-7-9(25-15(16,17)18)8-20-13(10)22(14)2/h4-8H,3H2,1-2H3
InChIKeyZBPVCLSFKOLZBP-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.72
Rot. Bonds4

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

2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (PubChem CID 118584490) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
PubChem CID118584490
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)cnc2n1C
InChIInChI=1S/C15H13F3N4O3S/c1-3-26(23,24)11-5-4-6-19-12(11)14-21-10-7-9(25-15(16,17)18)8-20-13(10)22(14)2/h4-8H,3H2,1-2H3
InChIKeyZBPVCLSFKOLZBP-UHFFFAOYSA-N
XLogP2.72
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine (CID 118584490) is 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
The InChIKey is ZBPVCLSFKOLZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-3-26(23,24)11-5-4-6-19-12(11)14-21-10-7-9(25-15(16,17)18)8-20-13(10)22(14)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine?
2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine has a molecular weight of 386.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine is sourced from PubChem (CID 118584490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).