2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide

C26H34N4O5S — CID 10279378

IUPAC2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide
SMILESCc1cn2c(Cc3ccccc3)c(CC(C)C)c(CC(N)=O)c2c(OCC(=O)NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C26H34N4O5S/c1-16(2)11-20-21(13-23(27)31)25-26(35-15-24(32)29-36(33,34)17(3)4)28-18(5)14-30(25)22(20)12-19-9-7-6-8-10-19/h6-10,14,16-17H,11-13,15H2,1-5H3,(H2,27,31)(H,29,32)
InChIKeyYWFPCFHGFGYDJC-UHFFFAOYSA-N
MW514.65 g/mol
LogP2.69
Rot. Bonds11

About 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide

2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide (PubChem CID 10279378) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide.

Molecular Properties

Compound Name2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide
PubChem CID10279378
Molecular FormulaC26H34N4O5S
Molecular Weight514.65 g/mol
Exact Mass514.22
IUPAC Name2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide
SMILESCc1cn2c(Cc3ccccc3)c(CC(C)C)c(CC(N)=O)c2c(OCC(=O)NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C26H34N4O5S/c1-16(2)11-20-21(13-23(27)31)25-26(35-15-24(32)29-36(33,34)17(3)4)28-18(5)14-30(25)22(20)12-19-9-7-6-8-10-19/h6-10,14,16-17H,11-13,15H2,1-5H3,(H2,27,31)(H,29,32)
InChIKeyYWFPCFHGFGYDJC-UHFFFAOYSA-N
XLogP2.69
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
CID 10301946
2-(6,7-dibenzyl-3-methyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 10139239
2-(6-benzyl-3,7-dimethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449258
2-(6-benzyl-3-methyl-8-oxaldehydoyl-7-propylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 142104503
2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 10160635
2-(3,6-dibenzyl-7-ethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449253
2-[6-[(2-cyclopentylphenyl)methyl]-7-ethyl-8-formyl-3-methylpyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 89324473
2-[7-benzyl-2-methyl-6-(2-methylpropyl)-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl]oxyacetic acid
CID 10159323
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
2-[7-ethyl-3-methyl-1-(2-methylperoxyethoxy)-6-[(2-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
CID 21350114
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829

Frequently Asked Questions

What is the IUPAC name of 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide?
The IUPAC name of 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide (CID 10279378) is 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide.
What is the SMILES notation for 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide?
The canonical SMILES for 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide is Cc1cn2c(Cc3ccccc3)c(CC(C)C)c(CC(N)=O)c2c(OCC(=O)NS(=O)(=O)C(C)C)n1.
What is the InChIKey of 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide?
The InChIKey is YWFPCFHGFGYDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c1-16(2)11-20-21(13-23(27)31)25-26(35-15-24(32)29-36(33,34)17(3)4)28-18(5)14-30(25)22(20)12-19-9-7-6-8-10-19/h6-10,14,16-17H,11-13,15H2,1-5H3,(H2,27,31)(H,29,32).
What are the key properties of 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide?
2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide has a molecular weight of 514.65 g/mol, XLogP of 2.69, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide is sourced from PubChem (CID 10279378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).