3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one

C26H30N4O5S — CID 175384140

About 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one

3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 175384140) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one
• PubChem CID: 175384140
• Molecular Formula: C26H30N4O5S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.19
• IUPAC Name: 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one
• SMILES: CCOc1nc(C(CS(C)(=O)=O)n2c(=O)n(C)c3cc(-c4ccccc4CC)cnc32)ccc1OC
• InChI: InChI=1S/C26H30N4O5S/c1-6-17-10-8-9-11-19(17)18-14-21-24(27-15-18)30(26(31)29(21)3)22(16-36(5,32)33)20-12-13-23(34-4)25(28-20)35-7-2/h8-15,22H,6-7,16H2,1-5H3
• InChIKey: VRRQTXFBGCWCKR-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 105.31 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one?

The IUPAC name of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one (CID 175384140) is 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one is CCOc1nc(C(CS(C)(=O)=O)n2c(=O)n(C)c3cc(-c4ccccc4CC)cnc32)ccc1OC.

What is the InChIKey of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one?

The InChIKey is VRRQTXFBGCWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-6-17-10-8-9-11-19(17)18-14-21-24(27-15-18)30(26(31)29(21)3)22(16-36(5,32)33)20-12-13-23(34-4)25(28-20)35-7-2/h8-15,22H,6-7,16H2,1-5H3.

What are the key properties of 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one?

3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 510.62 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 175384140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).