[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

C27H28N6O2 — CID 110152211

About [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110152211) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110152211
• Molecular Formula: C27H28N6O2
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.23
• IUPAC Name: [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: COc1ccccc1Cc1ccc(C(=O)N2CCC(c3cncc(-c4ncc(C)[nH]4)n3)CC2)cn1
• InChI: InChI=1S/C27H28N6O2/c1-18-14-30-26(31-18)24-17-28-16-23(32-24)19-9-11-33(12-10-19)27(34)21-7-8-22(29-15-21)13-20-5-3-4-6-25(20)35-2/h3-8,14-17,19H,9-13H2,1-2H3,(H,30,31)
• InChIKey: VQZFOCDTYQPVDI-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110152211) is [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1ccc(C(=O)N2CCC(c3cncc(-c4ncc(C)[nH]4)n3)CC2)cn1.

What is the InChIKey of [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

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

What are the key properties of [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110152211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).