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

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Related Compounds

3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-5-methoxy-pyridine
CID 10786970
US10479795, Example 485
CID 132260503
US20250346593, Example 302
CID 170434806
US20250346593, Example 313
CID 170434993
US20250346593, Example 61
CID 170616376
US20250346593, Example 334
CID 176301623
US20250346593, Example 74
CID 177773329
US20250346593, Example 145
CID 177773331
US20250346593, Example 88
CID 177773399
US20250346593, Example 50
CID 177773452
US20250346593, Example 286
CID 178185147
3-(2-{4-[(4-ethoxyphenyl)sulfonyl]piperazin-1-yl}ethyl)-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
CID 20955853

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).