8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol

C25H21N5O2 — CID 137230838

About 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol

8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137230838) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 137230838
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
• SMILES: COc1ncc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cn1
• InChI: InChI=1S/C25H21N5O2/c1-32-25-26-14-18(15-27-25)13-21-24(31)30-16-22(19-10-6-3-7-11-19)28-20(23(30)29-21)12-17-8-4-2-5-9-17/h2-11,14-16,31H,12-13H2,1H3
• InChIKey: IXIFUWXOMHDMKQ-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 85.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137230838) is 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is COc1ncc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cn1.

What is the InChIKey of 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

The InChIKey is IXIFUWXOMHDMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-32-25-26-14-18(15-27-25)13-21-24(31)30-16-22(19-10-6-3-7-11-19)28-20(23(30)29-21)12-17-8-4-2-5-9-17/h2-11,14-16,31H,12-13H2,1H3.

What are the key properties of 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?

8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 423.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).