2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide

C18H18IN3O2 — CID 68995182

IUPAC2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2ccccc2)cn2cc(I)cc2c1=O
InChIInChI=1S/C18H18IN3O2/c1-12(2)20-17(23)11-22-16(13-6-4-3-5-7-13)10-21-9-14(19)8-15(21)18(22)24/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyUCZYKBMTRGFMJD-UHFFFAOYSA-N
MW435.27 g/mol
LogP2.90
Rot. Bonds4

About 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide

2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide (PubChem CID 68995182) has the molecular formula C18H18IN3O2 and a molecular weight of 435.27 g/mol. Its IUPAC name is 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide
PubChem CID68995182
Molecular FormulaC18H18IN3O2
Molecular Weight435.27 g/mol
Exact Mass435.04
IUPAC Name2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2ccccc2)cn2cc(I)cc2c1=O
InChIInChI=1S/C18H18IN3O2/c1-12(2)20-17(23)11-22-16(13-6-4-3-5-7-13)10-21-9-14(19)8-15(21)18(22)24/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyUCZYKBMTRGFMJD-UHFFFAOYSA-N
XLogP2.90
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide 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-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide (CID 68995182) is 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2ccccc2)cn2cc(I)cc2c1=O.
What is the InChIKey of 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is UCZYKBMTRGFMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18IN3O2/c1-12(2)20-17(23)11-22-16(13-6-4-3-5-7-13)10-21-9-14(19)8-15(21)18(22)24/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide?
2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 435.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 68995182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).