3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

C24H25N3O3 — CID 142291951

About 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 142291951) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 142291951
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
• SMILES: CCOc1cc([C@@H](C)n2c(=O)[nH]c3cc(-c4ccccc4C)cnc32)ccc1OC
• InChI: InChI=1S/C24H25N3O3/c1-5-30-22-13-17(10-11-21(22)29-4)16(3)27-23-20(26-24(27)28)12-18(14-25-23)19-9-7-6-8-15(19)2/h6-14,16H,5H2,1-4H3,(H,26,28)/t16-/m1/s1
• InChIKey: ADBNZAZXBSCQAC-MRXNPFEDSA-N
• XLogP: 4.72
• TPSA: 69.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 142291951) is 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1cc([C@@H](C)n2c(=O)[nH]c3cc(-c4ccccc4C)cnc32)ccc1OC.

What is the InChIKey of 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is ADBNZAZXBSCQAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-5-30-22-13-17(10-11-21(22)29-4)16(3)27-23-20(26-24(27)28)12-18(14-25-23)19-9-7-6-8-15(19)2/h6-14,16H,5H2,1-4H3,(H,26,28)/t16-/m1/s1.

What are the key properties of 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?

3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 403.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142291951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).