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

C27H28N6O — CID 110152249

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

(2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 110152249) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
• PubChem CID: 110152249
• Molecular Formula: C27H28N6O
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.23
• IUPAC Name: (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
• SMILES: Cc1cnc(-c2cncc(CC3CCCN(C(=O)c4ccnc(Cc5ccccc5)c4)C3)n2)[nH]1
• InChI: InChI=1S/C27H28N6O/c1-19-15-30-26(31-19)25-17-28-16-24(32-25)13-21-8-5-11-33(18-21)27(34)22-9-10-29-23(14-22)12-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-17,21H,5,8,11-13,18H2,1H3,(H,30,31)
• InChIKey: ANHVMBDHKQTXQN-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (CID 110152249) is (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is Cc1cnc(-c2cncc(CC3CCCN(C(=O)c4ccnc(Cc5ccccc5)c4)C3)n2)[nH]1.

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

The InChIKey is ANHVMBDHKQTXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-19-15-30-26(31-19)25-17-28-16-24(32-25)13-21-8-5-11-33(18-21)27(34)22-9-10-29-23(14-22)12-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-17,21H,5,8,11-13,18H2,1H3,(H,30,31).

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

(2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 452.56 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110152249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).