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

C21H16F3N5O3S — CID 156889884

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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