2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C23H27N5O2 — CID 95838299

About 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95838299) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95838299
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: COc1ccc(CC(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3C(C)C)n2)cc1
• InChI: InChI=1S/C23H27N5O2/c1-16(2)23-25-10-12-28(23)21-15-24-14-19(26-21)20-5-4-11-27(20)22(29)13-17-6-8-18(30-3)9-7-17/h6-10,12,14-16,20H,4-5,11,13H2,1-3H3/t20-/m1/s1
• InChIKey: YCIRFBMUEHZKFS-HXUWFJFHSA-N
• XLogP: 3.70
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 95838299) is 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3C(C)C)n2)cc1.

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

The InChIKey is YCIRFBMUEHZKFS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(2)23-25-10-12-28(23)21-15-24-14-19(26-21)20-5-4-11-27(20)22(29)13-17-6-8-18(30-3)9-7-17/h6-10,12,14-16,20H,4-5,11,13H2,1-3H3/t20-/m1/s1.

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

2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95838299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).