2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C18H16F3N3O2S — CID 118893093

IUPAC2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESC=Cc1ccc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1
InChIInChI=1S/C18H16F3N3O2S/c1-4-11-6-7-12(15(8-11)27(25,26)5-2)17-23-13-9-16(18(19,20)21)22-10-14(13)24(17)3/h4,6-10H,1,5H2,2-3H3
InChIKeySPVUCQDRVNQYEA-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 118893093) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID118893093
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESC=Cc1ccc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1
InChIInChI=1S/C18H16F3N3O2S/c1-4-11-6-7-12(15(8-11)27(25,26)5-2)17-23-13-9-16(18(19,20)21)22-10-14(13)24(17)3/h4,6-10H,1,5H2,2-3H3
InChIKeySPVUCQDRVNQYEA-UHFFFAOYSA-N
XLogP4.09
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethylsulfonyl-2-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-benzothiazole
CID 121405277
2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 146540995
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
2-[4-ethylsulfonyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118148715
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430733
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
2-ethyl-2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]butanenitrile
CID 142414423
2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 158048184
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
6-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 158918962

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 118893093) is 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is C=Cc1ccc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1.
What is the InChIKey of 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is SPVUCQDRVNQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-4-11-6-7-12(15(8-11)27(25,26)5-2)17-23-13-9-16(18(19,20)21)22-10-14(13)24(17)3/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 395.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 118893093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).