2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline

C21H16F3N5O3S — CID 156889884

IUPAC2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline
SMILESCCS(=O)(=O)c1c(-c2nc3cnc4cc(OC(F)(F)F)ccc4c3n2C)nc2ccccn12
InChIInChI=1S/C21H16F3N5O3S/c1-3-33(30,31)20-17(27-16-6-4-5-9-29(16)20)19-26-15-11-25-14-10-12(32-21(22,23)24)7-8-13(14)18(15)28(19)2/h4-11H,3H2,1-2H3
InChIKeyHPOMGBPHHFCGBI-UHFFFAOYSA-N
MW475.45 g/mol
LogP4.13
Rot. Bonds4

About 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline

2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline (PubChem CID 156889884) has the molecular formula C21H16F3N5O3S and a molecular weight of 475.45 g/mol. Its IUPAC name is 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline
PubChem CID156889884
Molecular FormulaC21H16F3N5O3S
Molecular Weight475.45 g/mol
Exact Mass475.09
IUPAC Name2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline
SMILESCCS(=O)(=O)c1c(-c2nc3cnc4cc(OC(F)(F)F)ccc4c3n2C)nc2ccccn12
InChIInChI=1S/C21H16F3N5O3S/c1-3-33(30,31)20-17(27-16-6-4-5-9-29(16)20)19-26-15-11-25-14-10-12(32-21(22,23)24)7-8-13(14)18(15)28(19)2/h4-11H,3H2,1-2H3
InChIKeyHPOMGBPHHFCGBI-UHFFFAOYSA-N
XLogP4.13
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-Methoxy-2-methyl-5-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)pyrazolo[1,5-c]quinazoline
CID 53323878
US9670204, 82 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-methoxyphenyl)-N-methylthiazol-2-amine
CID 90446729
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-4-[4-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
CID 168284279
N-[3-[5-methoxy-2-(thian-4-ylmethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 24994073
N-[3-[5-methoxy-2-(3-methylsulfonylpropyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 24996600
2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 59353015
US9670204, 72 N-(2-ethyl-6-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-4-(4-(trifluoromethoxy)phenyl)thiazol-2-amine
CID 117628331
7-[5-[[2-(Azetidin-1-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]-5-methylsulfinylpyrrolo[2,3-d]pyrimidin-4-amine
CID 156304029
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methyl-N-(2-methylsulfonylethyl)quinolin-2-amine
CID 156304037
7-[2-[(2-Pyrrolidin-1-ylquinolin-7-yl)oxymethyl]-1,3-thiazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304106
7-[5-[[2-(Azetidin-1-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]-5-methylsulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 156304175
US11312719, Example 143
CID 164607506

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline (CID 156889884) is 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline is CCS(=O)(=O)c1c(-c2nc3cnc4cc(OC(F)(F)F)ccc4c3n2C)nc2ccccn12.
What is the InChIKey of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline?
The InChIKey is HPOMGBPHHFCGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S/c1-3-33(30,31)20-17(27-16-6-4-5-9-29(16)20)19-26-15-11-25-14-10-12(32-21(22,23)24)7-8-13(14)18(15)28(19)2/h4-11H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline?
2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline has a molecular weight of 475.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-1-methyl-7-(trifluoromethoxy)imidazo[4,5-c]quinoline is sourced from PubChem (CID 156889884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).