[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

C26H26N6O2 — CID 124985520

About [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 124985520) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 124985520
• Molecular Formula: C26H26N6O2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.21
• IUPAC Name: [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H]2c2cncc(-c3ncc(C)[nH]3)n2)ccn1
• InChI: InChI=1S/C26H26N6O2/c1-17-14-29-25(30-17)22-16-27-15-21(31-22)23-7-5-11-32(23)26(33)19-9-10-28-20(13-19)12-18-6-3-4-8-24(18)34-2/h3-4,6,8-10,13-16,23H,5,7,11-12H2,1-2H3,(H,29,30)/t23-/m1/s1
• InChIKey: NSKFHHWGYMABGD-HSZRJFAPSA-N
• XLogP: 4.15
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 124985520) is [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H]2c2cncc(-c3ncc(C)[nH]3)n2)ccn1.

What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is NSKFHHWGYMABGD-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-14-29-25(30-17)22-16-27-15-21(31-22)23-7-5-11-32(23)26(33)19-9-10-28-20(13-19)12-18-6-3-4-8-24(18)34-2/h3-4,6,8-10,13-16,23H,5,7,11-12H2,1-2H3,(H,29,30)/t23-/m1/s1.

What are the key properties of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?

[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124985520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).