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

C27H29N5O2 — CID 171398191

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

8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398191) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• PubChem CID: 171398191
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• SMILES: Cn1cc(CN2CC(=O)N3CCN(Cc4cc5ccccc5n4C)CC3C2=O)c2ccccc21
• InChI: InChI=1S/C27H29N5O2/c1-28-14-20(22-8-4-6-10-24(22)28)15-31-18-26(33)32-12-11-30(17-25(32)27(31)34)16-21-13-19-7-3-5-9-23(19)29(21)2/h3-10,13-14,25H,11-12,15-18H2,1-2H3
• InChIKey: LBBOUDUPCNXHFD-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 53.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398191) is 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

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

The canonical SMILES for 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is Cn1cc(CN2CC(=O)N3CCN(Cc4cc5ccccc5n4C)CC3C2=O)c2ccccc21.

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

The InChIKey is LBBOUDUPCNXHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-28-14-20(22-8-4-6-10-24(22)28)15-31-18-26(33)32-12-11-30(17-25(32)27(31)34)16-21-13-19-7-3-5-9-23(19)29(21)2/h3-10,13-14,25H,11-12,15-18H2,1-2H3.

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

8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 455.56 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylindol-3-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).