8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol

C27H24N4O3 — CID 137230813

About 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol

8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137230813) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 137230813
• Molecular Formula: C27H24N4O3
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.18
• IUPAC Name: 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
• SMILES: COc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)c(OC)n1
• InChI: InChI=1S/C27H24N4O3/c1-33-24-14-13-20(26(30-24)34-2)16-22-27(32)31-17-23(19-11-7-4-8-12-19)28-21(25(31)29-22)15-18-9-5-3-6-10-18/h3-14,17,32H,15-16H2,1-2H3
• InChIKey: PDBMGZVFEXSOSW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 81.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137230813) is 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is COc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)c(OC)n1.

What is the InChIKey of 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

The InChIKey is PDBMGZVFEXSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-33-24-14-13-20(26(30-24)34-2)16-22-27(32)31-17-23(19-11-7-4-8-12-19)28-21(25(31)29-22)15-18-9-5-3-6-10-18/h3-14,17,32H,15-16H2,1-2H3.

What are the key properties of 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 452.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-2-[(2,6-dimethoxy-3-pyridinyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137230813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).