3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione

C24H20N4O2 — CID 5327748

IUPAC3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCNC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H20N4O2/c1-27-13-16(14-6-2-4-8-17(14)27)21-22(24(30)26-23(21)29)20-15-7-3-5-9-18(15)28-11-10-25-12-19(20)28/h2-9,13,25H,10-12H2,1H3,(H,26,29,30)
InChIKeyWGLDKILPHLGLGQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.80
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione (PubChem CID 5327748) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione
PubChem CID5327748
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c4n(c5ccccc35)CCNC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H20N4O2/c1-27-13-16(14-6-2-4-8-17(14)27)21-22(24(30)26-23(21)29)20-15-7-3-5-9-18(15)28-11-10-25-12-19(20)28/h2-9,13,25H,10-12H2,1H3,(H,26,29,30)
InChIKeyWGLDKILPHLGLGQ-UHFFFAOYSA-N
XLogP2.80
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione (CID 5327748) is 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c4n(c5ccccc35)CCNC4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione?
The InChIKey is WGLDKILPHLGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-27-13-16(14-6-2-4-8-17(14)27)21-22(24(30)26-23(21)29)20-15-7-3-5-9-18(15)28-11-10-25-12-19(20)28/h2-9,13,25H,10-12H2,1H3,(H,26,29,30).
What are the key properties of 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione has a molecular weight of 396.45 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).