5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide

C15H15F3N6O2S — CID 142401163

IUPAC5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(C(N)=O)n1C
InChIInChI=1S/C15H15F3N6O2S/c1-4-27(26)14-10(22-13(11(19)25)24(14)3)12-21-7-5-9(15(16,17)18)20-6-8(7)23(12)2/h5-6H,4H2,1-3H3,(H2,19,25)
InChIKeyZETSVCZYYHHFSA-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.61
Rot. Bonds4

About 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide

5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide (PubChem CID 142401163) has the molecular formula C15H15F3N6O2S and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide
PubChem CID142401163
Molecular FormulaC15H15F3N6O2S
Molecular Weight400.39 g/mol
Exact Mass400.09
IUPAC Name5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(C(N)=O)n1C
InChIInChI=1S/C15H15F3N6O2S/c1-4-27(26)14-10(22-13(11(19)25)24(14)3)12-21-7-5-9(15(16,17)18)20-6-8(7)23(12)2/h5-6H,4H2,1-3H3,(H2,19,25)
InChIKeyZETSVCZYYHHFSA-UHFFFAOYSA-N
XLogP1.61
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 167209269
3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806472
2-bromo-4-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole;hydrate
CID 162323588
5-ethylsulfinyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyrimidin-2-yl-1,3-thiazole;hydrate
CID 145172809
N-[6-ethylsulfinyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]acetamide
CID 142460875
2-[3-ethylsulfinyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430784
2-[5-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 142414421
2-[6-(4-chlorophenyl)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166991071
2-[3-ethylsulfinyl-5-(2-methylsulfanylethoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;hydrate
CID 162326333
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;methanesulfinate
CID 159120997
2-[3-ethylsulfinyl-5-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;hydrate
CID 162320172

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide?
The IUPAC name of 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide (CID 142401163) is 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide.
What is the SMILES notation for 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide?
The canonical SMILES for 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide is CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(C(N)=O)n1C.
What is the InChIKey of 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide?
The InChIKey is ZETSVCZYYHHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2S/c1-4-27(26)14-10(22-13(11(19)25)24(14)3)12-21-7-5-9(15(16,17)18)20-6-8(7)23(12)2/h5-6H,4H2,1-3H3,(H2,19,25).
What are the key properties of 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide?
5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazole-2-carboxamide is sourced from PubChem (CID 142401163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).