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

C23H27N5O2 — CID 171398269

IUPAC8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESCn1cccc1CN1CC(=O)N2CCN(Cc3cc4ccccc4n3C)CC2C1=O
InChIInChI=1S/C23H27N5O2/c1-24-9-5-7-18(24)14-27-16-22(29)28-11-10-26(15-21(28)23(27)30)13-19-12-17-6-3-4-8-20(17)25(19)2/h3-9,12,21H,10-11,13-16H2,1-2H3
InChIKeyZJZFYZGWFVDKBZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.57
Rot. Bonds4

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

8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398269) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID171398269
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESCn1cccc1CN1CC(=O)N2CCN(Cc3cc4ccccc4n3C)CC2C1=O
InChIInChI=1S/C23H27N5O2/c1-24-9-5-7-18(24)14-27-16-22(29)28-11-10-26(15-21(28)23(27)30)13-19-12-17-6-3-4-8-20(17)25(19)2/h3-9,12,21H,10-11,13-16H2,1-2H3
InChIKeyZJZFYZGWFVDKBZ-UHFFFAOYSA-N
XLogP1.57
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-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-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398269) is 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-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-methylpyrrol-2-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-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is Cn1cccc1CN1CC(=O)N2CCN(Cc3cc4ccccc4n3C)CC2C1=O.
What is the InChIKey of 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is ZJZFYZGWFVDKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-24-9-5-7-18(24)14-27-16-22(29)28-11-10-26(15-21(28)23(27)30)13-19-12-17-6-3-4-8-20(17)25(19)2/h3-9,12,21H,10-11,13-16H2,1-2H3.
What are the key properties of 8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
8-[(1-methylindol-2-yl)methyl]-2-[(1-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 405.50 g/mol, XLogP of 1.57, 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-methylpyrrol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).