[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

C27H28N6O2 — CID 124980585

About [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124980585) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124980585
• Molecular Formula: C27H28N6O2
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.23
• IUPAC Name: [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccccc1Cc1cc(C(=O)N2CCC[C@H](c3cncc(-c4nccn4C)n3)C2)ccn1
• InChI: InChI=1S/C27H28N6O2/c1-32-13-11-30-26(32)24-17-28-16-23(31-24)21-7-5-12-33(18-21)27(34)20-9-10-29-22(15-20)14-19-6-3-4-8-25(19)35-2/h3-4,6,8-11,13,15-17,21H,5,7,12,14,18H2,1-2H3/t21-/m0/s1
• InChIKey: MJZWDRDVRGINBW-NRFANRHFSA-N
• XLogP: 3.89
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 124980585) is [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1cc(C(=O)N2CCC[C@H](c3cncc(-c4nccn4C)n3)C2)ccn1.

What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is MJZWDRDVRGINBW-NRFANRHFSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-32-13-11-30-26(32)24-17-28-16-23(31-24)21-7-5-12-33(18-21)27(34)20-9-10-29-22(15-20)14-19-6-3-4-8-25(19)35-2/h3-4,6,8-11,13,15-17,21H,5,7,12,14,18H2,1-2H3/t21-/m0/s1.

What are the key properties of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124980585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).