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

C19H20IN3O3 — CID 68997905

IUPAC2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2cn3cc(I)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C19H20IN3O3/c1-12(2)21-18(24)11-23-17(13-5-4-6-15(7-13)26-3)10-22-9-14(20)8-16(22)19(23)25/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyUEVMYTFJFOXDBH-UHFFFAOYSA-N
MW465.29 g/mol
LogP2.91
Rot. Bonds5

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

2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 68997905) has the molecular formula C19H20IN3O3 and a molecular weight of 465.29 g/mol. Its IUPAC name is 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
PubChem CID68997905
Molecular FormulaC19H20IN3O3
Molecular Weight465.29 g/mol
Exact Mass465.05
IUPAC Name2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2cn3cc(I)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C19H20IN3O3/c1-12(2)21-18(24)11-23-17(13-5-4-6-15(7-13)26-3)10-22-9-14(20)8-16(22)19(23)25/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyUEVMYTFJFOXDBH-UHFFFAOYSA-N
XLogP2.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-iodo-1-oxo-3-phenylpyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylacetamide
CID 68995182
2-[7-iodo-1-oxo-3-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 70256321
2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 70254462
2-[7-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 70254415
2-[3-(3-methoxyphenyl)-7-[4-(2-methylpiperidin-1-yl)butyl]-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 70255506
2-[7-(4-hydroxybut-1-ynyl)-3-(3-methylphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 68995794
2-[6-hydroxy-7-methoxy-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525567
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68523585
2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide
CID 58812493
2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522664

Frequently Asked Questions

What is the IUPAC name of 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (CID 68997905) is 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is COc1cccc(-c2cn3cc(I)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is UEVMYTFJFOXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O3/c1-12(2)21-18(24)11-23-17(13-5-4-6-15(7-13)26-3)10-22-9-14(20)8-16(22)19(23)25/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 465.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 68997905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).