3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one

C20H23F2N3O4S — CID 138737100

IUPAC3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)=O)n2c(=O)[nH]c3c(C)c(C)cnc32)ccc1OC(F)F
InChIInChI=1S/C20H23F2N3O4S/c1-5-28-16-8-13(6-7-15(16)29-19(21)22)14(10-30(4)27)25-18-17(24-20(25)26)12(3)11(2)9-23-18/h6-9,14,19H,5,10H2,1-4H3,(H,24,26)
InChIKeyRSHVAOSIVQWDEI-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.31
Rot. Bonds8

About 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one

3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 138737100) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID138737100
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC Name3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)=O)n2c(=O)[nH]c3c(C)c(C)cnc32)ccc1OC(F)F
InChIInChI=1S/C20H23F2N3O4S/c1-5-28-16-8-13(6-7-15(16)29-19(21)22)14(10-30(4)27)25-18-17(24-20(25)26)12(3)11(2)9-23-18/h6-9,14,19H,5,10H2,1-4H3,(H,24,26)
InChIKeyRSHVAOSIVQWDEI-UHFFFAOYSA-N
XLogP3.31
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 155802661
3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfanylethyl]-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 142291945
3-[1-[5-(difluoromethoxy)-6-ethoxy-2-pyridinyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 175384186
tert-butyl 4-[1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one;3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-phenyl-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-one
CID 159447109
3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 142291951
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylprop-2-en-1-ol
CID 79190781
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-phenyl-1H-imidazo[4,5-b]pyridin-2-one
CID 138710038
3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 166172158
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(5-fluoropyrimidin-2-yl)-1H-benzimidazol-2-one
CID 139306714

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one (CID 138737100) is 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one is CCOc1cc(C(CS(C)=O)n2c(=O)[nH]c3c(C)c(C)cnc32)ccc1OC(F)F.
What is the InChIKey of 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RSHVAOSIVQWDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-5-28-16-8-13(6-7-15(16)29-19(21)22)14(10-30(4)27)25-18-17(24-20(25)26)12(3)11(2)9-23-18/h6-9,14,19H,5,10H2,1-4H3,(H,24,26).
What are the key properties of 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 439.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfinylethyl]-6,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).