7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile

C27H9N9 — CID 158789736

IUPAC7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile
SMILESC#Cc1nc2nc3ccc(-c4ccc5nc6nc(C#N)c(C#C)nc6nc5c4)cc3nc2nc1C#C
InChIInChI=1S/C27H9N9/c1-4-16-17(5-2)30-25-24(29-16)32-19-9-7-14(11-21(19)34-25)15-8-10-20-22(12-15)35-26-27(33-20)36-23(13-28)18(6-3)31-26/h1-3,7-12H
InChIKeyZEJADWFVIZWMFE-UHFFFAOYSA-N
MW459.43 g/mol
LogP2.94
Rot. Bonds1

About 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile

7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile (PubChem CID 158789736) has the molecular formula C27H9N9 and a molecular weight of 459.43 g/mol. Its IUPAC name is 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile
PubChem CID158789736
Molecular FormulaC27H9N9
Molecular Weight459.43 g/mol
Exact Mass459.10
IUPAC Name7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile
SMILESC#Cc1nc2nc3ccc(-c4ccc5nc6nc(C#N)c(C#C)nc6nc5c4)cc3nc2nc1C#C
InChIInChI=1S/C27H9N9/c1-4-16-17(5-2)30-25-24(29-16)32-19-9-7-14(11-21(19)34-25)15-8-10-20-22(12-15)35-26-27(33-20)36-23(13-28)18(6-3)31-26/h1-3,7-12H
InChIKeyZEJADWFVIZWMFE-UHFFFAOYSA-N
XLogP2.94
TPSA126.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile 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 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile?
The IUPAC name of 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile (CID 158789736) is 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile.
What is the SMILES notation for 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile?
The canonical SMILES for 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile is C#Cc1nc2nc3ccc(-c4ccc5nc6nc(C#N)c(C#C)nc6nc5c4)cc3nc2nc1C#C.
What is the InChIKey of 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile?
The InChIKey is ZEJADWFVIZWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H9N9/c1-4-16-17(5-2)30-25-24(29-16)32-19-9-7-14(11-21(19)34-25)15-8-10-20-22(12-15)35-26-27(33-20)36-23(13-28)18(6-3)31-26/h1-3,7-12H.
What are the key properties of 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile?
7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile has a molecular weight of 459.43 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-diethynylpyrazino[2,3-b]quinoxalin-7-yl)-3-ethynylpyrazino[2,3-b]quinoxaline-2-carbonitrile is sourced from PubChem (CID 158789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).