6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one

C26H30N4O5S — CID 175384154

IUPAC6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4c(C)cccc4C)cnc32)ccc1OC
InChIInChI=1S/C26H30N4O5S/c1-7-35-25-21(34-5)12-11-19(28-25)20(14-36(6,32)33)30-24-23(29-26(30)31)17(4)18(13-27-24)22-15(2)9-8-10-16(22)3/h8-13,20H,7,14H2,1-6H3,(H,29,31)
InChIKeyVGSROAVKCDURSC-UHFFFAOYSA-N
MW510.62 g/mol
LogP3.75
Rot. Bonds8

About 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one

6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 175384154) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID175384154
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
IUPAC Name6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4c(C)cccc4C)cnc32)ccc1OC
InChIInChI=1S/C26H30N4O5S/c1-7-35-25-21(34-5)12-11-19(28-25)20(14-36(6,32)33)30-24-23(29-26(30)31)17(4)18(13-27-24)22-15(2)9-8-10-16(22)3/h8-13,20H,7,14H2,1-6H3,(H,29,31)
InChIKeyVGSROAVKCDURSC-UHFFFAOYSA-N
XLogP3.75
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one (CID 175384154) is 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one is CCOc1nc(C(CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4c(C)cccc4C)cnc32)ccc1OC.
What is the InChIKey of 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VGSROAVKCDURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-7-35-25-21(34-5)12-11-19(28-25)20(14-36(6,32)33)30-24-23(29-26(30)31)17(4)18(13-27-24)22-15(2)9-8-10-16(22)3/h8-13,20H,7,14H2,1-6H3,(H,29,31).
What are the key properties of 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one?
6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 510.62 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 175384154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).