2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one

C27H30N4O2 — CID 11676600

IUPAC2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCOc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3
InChIInChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
InChIKeyGPANICKLGIVBML-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.36
Rot. Bonds6

About 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one

2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 11676600) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID11676600
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCOc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3
InChIInChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
InChIKeyGPANICKLGIVBML-UHFFFAOYSA-N
XLogP4.36
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 11676600) is 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one is COc1cccc2cc3n(c12)CCN(CCCCN1CCn2c(cc4ccccc42)C1=O)C3.
What is the InChIKey of 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is GPANICKLGIVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3.
What are the key properties of 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 442.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 11676600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).