6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C22H26N2O4S — CID 139341723

IUPAC6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H26N2O4S/c1-15-12-19(24-11-10-23-22(25)21(15)24)18-13-16(14-29(2,26)27)8-9-20(18)28-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,23,25)
InChIKeyWZPHVBVWZPANIO-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.86
Rot. Bonds5

About 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 139341723) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID139341723
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H26N2O4S/c1-15-12-19(24-11-10-23-22(25)21(15)24)18-13-16(14-29(2,26)27)8-9-20(18)28-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,23,25)
InChIKeyWZPHVBVWZPANIO-UHFFFAOYSA-N
XLogP3.86
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341574
6-[2-(4-chlorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341569
4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341564
N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 161400958
N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 139341508
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
2-cyclopentyloxy-4-ethyl-1-methylbenzene
CID 121457691
3-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 86287759
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
4-(2-cyclopentyloxy-4-fluorophenyl)-1-[3-(methylsulfonylmethyl)phenyl]-2H-1,3,5-triazine
CID 141427736
1-cyclohexyloxy-5-ethyl-2,4-dimethylbenzene
CID 126707098
3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 22558657

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 139341723) is 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is WZPHVBVWZPANIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-15-12-19(24-11-10-23-22(25)21(15)24)18-13-16(14-29(2,26)27)8-9-20(18)28-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,23,25).
What are the key properties of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 414.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 139341723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).