2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide

C21H24N4O6S — CID 24734269

IUPAC2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)CN2C(=O)C3CN(Cc4ccco4)CCN3C2=O)c1
InChIInChI=1S/C21H24N4O6S/c1-32(29,30)17-6-2-4-15(10-17)11-22-19(26)14-25-20(27)18-13-23(7-8-24(18)21(25)28)12-16-5-3-9-31-16/h2-6,9-10,18H,7-8,11-14H2,1H3,(H,22,26)
InChIKeyBWTOJHPOXWSLHY-UHFFFAOYSA-N
MW460.51 g/mol
LogP0.45
Rot. Bonds7

About 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide

2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide (PubChem CID 24734269) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide
PubChem CID24734269
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)CN2C(=O)C3CN(Cc4ccco4)CCN3C2=O)c1
InChIInChI=1S/C21H24N4O6S/c1-32(29,30)17-6-2-4-15(10-17)11-22-19(26)14-25-20(27)18-13-23(7-8-24(18)21(25)28)12-16-5-3-9-31-16/h2-6,9-10,18H,7-8,11-14H2,1H3,(H,22,26)
InChIKeyBWTOJHPOXWSLHY-UHFFFAOYSA-N
XLogP0.45
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[[3-(dimethylamino)phenyl]methyl]acetamide
CID 24734312
2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 24734305
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 86913214
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 95074518
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810

Frequently Asked Questions

What is the IUPAC name of 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide (CID 24734269) is 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide is CS(=O)(=O)c1cccc(CNC(=O)CN2C(=O)C3CN(Cc4ccco4)CCN3C2=O)c1.
What is the InChIKey of 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide?
The InChIKey is BWTOJHPOXWSLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-32(29,30)17-6-2-4-15(10-17)11-22-19(26)14-25-20(27)18-13-23(7-8-24(18)21(25)28)12-16-5-3-9-31-16/h2-6,9-10,18H,7-8,11-14H2,1H3,(H,22,26).
What are the key properties of 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide?
2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(furan-2-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-[(3-methylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 24734269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).