2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C17H14F3N7OS — CID 129140267

IUPAC2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H14F3N7OS/c1-3-29(28)12-4-5-13(27-9-21-8-23-27)25-14(12)16-24-11-6-10(17(18,19)20)7-22-15(11)26(16)2/h4-9H,3H2,1-2H3
InChIKeyNHOOUTAAPHHJEI-UHFFFAOYSA-N
MW421.41 g/mol
LogP2.76
Rot. Bonds4

About 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 129140267) has the molecular formula C17H14F3N7OS and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID129140267
Molecular FormulaC17H14F3N7OS
Molecular Weight421.41 g/mol
Exact Mass421.09
IUPAC Name2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H14F3N7OS/c1-3-29(28)12-4-5-13(27-9-21-8-23-27)25-14(12)16-24-11-6-10(17(18,19)20)7-22-15(11)26(16)2/h4-9H,3H2,1-2H3
InChIKeyNHOOUTAAPHHJEI-UHFFFAOYSA-N
XLogP2.76
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)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

Related Compounds

2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-[3-ethylsulfonyl-5-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134521194
2-(5-cyclobutyl-3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 145101036
1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine
CID 129140353
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 129130472
3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806497
2-[6-(3-bromo-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140360
3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600622
7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 134202400
2-[3-ethylsulfinyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430784
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 129140267) is 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is NHOOUTAAPHHJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7OS/c1-3-29(28)12-4-5-13(27-9-21-8-23-27)25-14(12)16-24-11-6-10(17(18,19)20)7-22-15(11)26(16)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 421.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 129140267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).