6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C87H93FN10O14S4 — CID 167608469

IUPAC6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2Cc2ccc(F)cc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC(C)(C)C)n2cc[nH]c(=O)c12
InChIInChI=1S/C23H21FN2O3S.C23H22N2O3S.C21H25N3O4S.C20H25N3O4S/c1-15-11-21(26-10-9-25-23(27)22(15)26)20-13-17(14-30(2,28)29)3-6-18(20)12-16-4-7-19(24)8-5-16;1-16-12-21(25-11-10-24-23(26)22(16)25)20-14-18(15-29(2,27)28)8-9-19(20)13-17-6-4-3-5-7-17;1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16;1-13-10-16(23-9-8-21-19(24)18(13)23)15-11-14(22-28(5,25)26)6-7-17(15)27-12-20(2,3)4/h3-11,13H,12,14H2,1-2H3,(H,25,27);3-12,14H,13,15H2,1-2H3,(H,24,26);8-13,16,23H,3-7H2,1-2H3,(H,22,25);6-11,22H,12H2,1-5H3,(H,21,24)
InChIKeyKSBQROIJRBFSCC-UHFFFAOYSA-N
MW1650.02 g/mol
LogP14.70
Rot. Bonds20

About 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 167608469) has the molecular formula C87H93FN10O14S4 and a molecular weight of 1650.02 g/mol. Its IUPAC name is 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID167608469
Molecular FormulaC87H93FN10O14S4
Molecular Weight1650.02 g/mol
Exact Mass1648.57
IUPAC Name6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2Cc2ccc(F)cc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC(C)(C)C)n2cc[nH]c(=O)c12
InChIInChI=1S/C23H21FN2O3S.C23H22N2O3S.C21H25N3O4S.C20H25N3O4S/c1-15-11-21(26-10-9-25-23(27)22(15)26)20-13-17(14-30(2,28)29)3-6-18(20)12-16-4-7-19(24)8-5-16;1-16-12-21(25-11-10-24-23(26)22(16)25)20-14-18(15-29(2,27)28)8-9-19(20)13-17-6-4-3-5-7-17;1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16;1-13-10-16(23-9-8-21-19(24)18(13)23)15-11-14(22-28(5,25)26)6-7-17(15)27-12-20(2,3)4/h3-11,13H,12,14H2,1-2H3,(H,25,27);3-12,14H,13,15H2,1-2H3,(H,24,26);8-13,16,23H,3-7H2,1-2H3,(H,22,25);6-11,22H,12H2,1-5H3,(H,21,24)
InChIKeyKSBQROIJRBFSCC-UHFFFAOYSA-N
XLogP14.70
TPSA328.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001650.02
LogP ≤ 514.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 167608469) is 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Cc2ccc(F)cc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC(C)(C)C)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is KSBQROIJRBFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S.C23H22N2O3S.C21H25N3O4S.C20H25N3O4S/c1-15-11-21(26-10-9-25-23(27)22(15)26)20-13-17(14-30(2,28)29)3-6-18(20)12-16-4-7-19(24)8-5-16;1-16-12-21(25-11-10-24-23(26)22(16)25)20-14-18(15-29(2,27)28)8-9-19(20)13-17-6-4-3-5-7-17;1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16;1-13-10-16(23-9-8-21-19(24)18(13)23)15-11-14(22-28(5,25)26)6-7-17(15)27-12-20(2,3)4/h3-11,13H,12,14H2,1-2H3,(H,25,27);3-12,14H,13,15H2,1-2H3,(H,24,26);8-13,16,23H,3-7H2,1-2H3,(H,22,25);6-11,22H,12H2,1-5H3,(H,21,24).
What are the key properties of 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 1650.02 g/mol, XLogP of 14.70, 20 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-benzyl-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,2-dimethylpropoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-[(4-fluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 167608469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).