7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one

C24H22F2N4O4S — CID 167433385

IUPAC7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one
SMILESCCS(=O)(=O)c1cnc2cc(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4c3CN(C)C4)cn12
InChIInChI=1S/C24H22F2N4O4S/c1-4-35(32,33)23-9-27-22-8-21(34-20-6-5-14(25)7-19(20)26)17(13-30(22)23)16-12-29(3)24(31)18-11-28(2)10-15(16)18/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyXEPIVAUTXVGLPW-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.51
Rot. Bonds5

About 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one

7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 167433385) has the molecular formula C24H22F2N4O4S and a molecular weight of 500.53 g/mol. Its IUPAC name is 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one
PubChem CID167433385
Molecular FormulaC24H22F2N4O4S
Molecular Weight500.53 g/mol
Exact Mass500.13
IUPAC Name7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one
SMILESCCS(=O)(=O)c1cnc2cc(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4c3CN(C)C4)cn12
InChIInChI=1S/C24H22F2N4O4S/c1-4-35(32,33)23-9-27-22-8-21(34-20-6-5-14(25)7-19(20)26)17(13-30(22)23)16-12-29(3)24(31)18-11-28(2)10-15(16)18/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyXEPIVAUTXVGLPW-UHFFFAOYSA-N
XLogP3.51
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one with MolForge

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Related Compounds

8-[2-(2,4-difluorophenoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
CID 123982512
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)phenyl]-5-methyl-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 153179462
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-[1,3]oxazolo[5,4-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 118028184
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide
CID 118021366
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-2-propan-2-yloxypyrazolo[4,3-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 134512215
N-[4-(2,4-difluorophenoxy)-3-[(8R)-2,7,8-trimethyl-1-oxo-8,9-dihydro-7H-cyclohepta[c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 134514550
7-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 168889984
N-[5-(2,4-difluorophenoxy)-4-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)pyrimidin-2-yl]methanesulfinamide
CID 118027839
5-[2-(2,4-difluorophenoxy)-5-(ethyl-hydroxy-methyl-λ4-sulfanyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
CID 163814234
5-[2-(2,4-difluorophenoxy)-5-methylphenyl]-3-[ethyl(methyl)amino]-1,4-dimethylpyridin-2-one
CID 142346200
4-[5-(2,4-difluorophenoxy)-2-(1,1-dioxothiolan-2-yl)pyrimidin-4-yl]-2-methylisoquinolin-1-one
CID 118327062

Frequently Asked Questions

What is the IUPAC name of 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one (CID 167433385) is 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one is CCS(=O)(=O)c1cnc2cc(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4c3CN(C)C4)cn12.
What is the InChIKey of 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is XEPIVAUTXVGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4S/c1-4-35(32,33)23-9-27-22-8-21(34-20-6-5-14(25)7-19(20)26)17(13-30(22)23)16-12-29(3)24(31)18-11-28(2)10-15(16)18/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one?
7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 500.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(2,4-difluorophenoxy)-3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl]-2,5-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 167433385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).