2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate

C16H14N4O5 — CID 155522659

IUPAC2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate
SMILESCC(=O)OCCn1c(-c2ccccc2)cn2cc([N+](=O)[O-])nc2c1=O
InChIInChI=1S/C16H14N4O5/c1-11(21)25-8-7-19-13(12-5-3-2-4-6-12)9-18-10-14(20(23)24)17-15(18)16(19)22/h2-6,9-10H,7-8H2,1H3
InChIKeyANVGHHAQPVUPDT-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.63
Rot. Bonds5

About 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate

2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate (PubChem CID 155522659) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate
PubChem CID155522659
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate
SMILESCC(=O)OCCn1c(-c2ccccc2)cn2cc([N+](=O)[O-])nc2c1=O
InChIInChI=1S/C16H14N4O5/c1-11(21)25-8-7-19-13(12-5-3-2-4-6-12)9-18-10-14(20(23)24)17-15(18)16(19)22/h2-6,9-10H,7-8H2,1H3
InChIKeyANVGHHAQPVUPDT-UHFFFAOYSA-N
XLogP1.63
TPSA108.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate 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-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
The IUPAC name of 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate (CID 155522659) is 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate.
What is the SMILES notation for 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
The canonical SMILES for 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate is CC(=O)OCCn1c(-c2ccccc2)cn2cc([N+](=O)[O-])nc2c1=O.
What is the InChIKey of 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
The InChIKey is ANVGHHAQPVUPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-11(21)25-8-7-19-13(12-5-3-2-4-6-12)9-18-10-14(20(23)24)17-15(18)16(19)22/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate?
2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate has a molecular weight of 342.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-8-oxo-6-phenylimidazo[1,2-a]pyrazin-7-yl)ethyl acetate is sourced from PubChem (CID 155522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).