2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

C26H26N4O3 — CID 171398264

About 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398264) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• PubChem CID: 171398264
• Molecular Formula: C26H26N4O3
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.20
• IUPAC Name: 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• SMILES: Cn1c(CN2CCN3C(=O)CN(Cc4cc5ccccc5o4)C(=O)C3C2)cc2ccccc21
• InChI: InChI=1S/C26H26N4O3/c1-27-20(12-18-6-2-4-8-22(18)27)14-28-10-11-30-23(16-28)26(32)29(17-25(30)31)15-21-13-19-7-3-5-9-24(19)33-21/h2-9,12-13,23H,10-11,14-17H2,1H3
• InChIKey: YHILXYIIKIDWOU-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 61.93 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398264) is 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is Cn1c(CN2CCN3C(=O)CN(Cc4cc5ccccc5o4)C(=O)C3C2)cc2ccccc21.

What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The InChIKey is YHILXYIIKIDWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-27-20(12-18-6-2-4-8-22(18)27)14-28-10-11-30-23(16-28)26(32)29(17-25(30)31)15-21-13-19-7-3-5-9-24(19)33-21/h2-9,12-13,23H,10-11,14-17H2,1H3.

What are the key properties of 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 442.52 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).