1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one

C21H22N4O3 — CID 72895390

About 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one

1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one (PubChem CID 72895390) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
• PubChem CID: 72895390
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
• SMILES: CCn1ccc(C(=O)N2CCc3nc(-c4ccc(OC)cc4)[nH]c3C2)cc1=O
• InChI: InChI=1S/C21H22N4O3/c1-3-24-10-8-15(12-19(24)26)21(27)25-11-9-17-18(13-25)23-20(22-17)14-4-6-16(28-2)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,22,23)
• InChIKey: GFWIUJYJWJVZAA-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 80.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?

The IUPAC name of 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one (CID 72895390) is 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one.

What is the SMILES notation for 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?

The canonical SMILES for 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one is CCn1ccc(C(=O)N2CCc3nc(-c4ccc(OC)cc4)[nH]c3C2)cc1=O.

What is the InChIKey of 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?

The InChIKey is GFWIUJYJWJVZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-24-10-8-15(12-19(24)26)21(27)25-11-9-17-18(13-25)23-20(22-17)14-4-6-16(28-2)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,22,23).

What are the key properties of 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one?

1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one is sourced from PubChem (CID 72895390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).