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

C27H28N6O2 — CID 124961482

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

[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124961482) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124961482
• Molecular Formula: C27H28N6O2
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.23
• IUPAC Name: [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccccc1Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3-c3nccn3C)C2)cn1
• InChI: InChI=1S/C27H28N6O2/c1-32-15-13-30-26(32)25-24(28-11-12-29-25)21-7-5-14-33(18-21)27(34)20-9-10-22(31-17-20)16-19-6-3-4-8-23(19)35-2/h3-4,6,8-13,15,17,21H,5,7,14,16,18H2,1-2H3/t21-/m0/s1
• InChIKey: HBWHVTZJTXQQMG-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

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 124961482) is [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3-c3nccn3C)C2)cn1.

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

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

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

[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(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 [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124961482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).