2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C22H24N4O2 — CID 95838301

About 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95838301) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95838301
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
• SMILES: COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1
• InChI: InChI=1S/C22H24N4O2/c1-16-23-12-14-25(16)21-7-3-5-19(24-21)20-6-4-13-26(20)22(27)15-17-8-10-18(28-2)11-9-17/h3,5,7-12,14,20H,4,6,13,15H2,1-2H3/t20-/m1/s1
• InChIKey: ANLOGCGZBVGAJN-HXUWFJFHSA-N
• XLogP: 3.49
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95838301) is 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The InChIKey is ANLOGCGZBVGAJN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-23-12-14-25(16)21-7-3-5-19(24-21)20-6-4-13-26(20)22(27)15-17-8-10-18(28-2)11-9-17/h3,5,7-12,14,20H,4,6,13,15H2,1-2H3/t20-/m1/s1.

What are the key properties of 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?

2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95838301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).