6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C105H116N12O21S5 — CID 157053831

IUPAC6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCS(=O)(=O)Cc1ccc(OC2CCOCC2)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Nc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H26N2O4S.C21H25N3O5S.C21H19N3O3S.C21H24N2O5S.C20H22N2O4S/c1-15-11-20(24-8-7-23-22(25)21(15)24)19-13-17(14-29(2,26)27)3-4-18(19)12-16-5-9-28-10-6-16;1-3-30(26,27)12-15-4-5-19(29-16-6-8-28-9-7-16)17(11-15)18-10-14(2)20-21(25)23-22-13-24(18)20;1-14-12-19(24-11-10-22-21(25)20(14)24)17-13-16(28(2,26)27)8-9-18(17)23-15-6-4-3-5-7-15;1-14-11-18(23-8-7-22-21(24)20(14)23)17-12-15(13-29(2,25)26)3-4-19(17)28-16-5-9-27-10-6-16;1-13-9-17(22-8-7-21-20(23)19(13)22)16-10-15(12-27(2,24)25)5-6-18(16)26-11-14-3-4-14/h3-4,7-8,11,13,16H,5-6,9-10,12,14H2,1-2H3,(H,23,25);4-5,10-11,13,16H,3,6-9,12H2,1-2H3,(H,23,25);3-13,23H,1-2H3,(H,22,25);3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,22,24);5-10,14H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyAANBENSPLBXHIV-UHFFFAOYSA-N
MW2042.48 g/mol
LogP15.00
Rot. Bonds26

About 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 157053831) has the molecular formula C105H116N12O21S5 and a molecular weight of 2042.48 g/mol. Its IUPAC name is 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID157053831
Molecular FormulaC105H116N12O21S5
Molecular Weight2042.48 g/mol
Exact Mass2040.70
IUPAC Name6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCS(=O)(=O)Cc1ccc(OC2CCOCC2)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Nc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H26N2O4S.C21H25N3O5S.C21H19N3O3S.C21H24N2O5S.C20H22N2O4S/c1-15-11-20(24-8-7-23-22(25)21(15)24)19-13-17(14-29(2,26)27)3-4-18(19)12-16-5-9-28-10-6-16;1-3-30(26,27)12-15-4-5-19(29-16-6-8-28-9-7-16)17(11-15)18-10-14(2)20-21(25)23-22-13-24(18)20;1-14-12-19(24-11-10-22-21(25)20(14)24)17-13-16(28(2,26)27)8-9-18(17)23-15-6-4-3-5-7-15;1-14-11-18(23-8-7-22-21(24)20(14)23)17-12-15(13-29(2,25)26)3-4-19(17)28-16-5-9-27-10-6-16;1-13-9-17(22-8-7-21-20(23)19(13)22)16-10-15(12-27(2,24)25)5-6-18(16)26-11-14-3-4-14/h3-4,7-8,11,13,16H,5-6,9-10,12,14H2,1-2H3,(H,23,25);4-5,10-11,13,16H,3,6-9,12H2,1-2H3,(H,23,25);3-13,23H,1-2H3,(H,22,25);3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,22,24);5-10,14H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyAANBENSPLBXHIV-UHFFFAOYSA-N
XLogP15.00
TPSA437.35 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.48
LogP ≤ 515.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-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-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 157053831) is 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CCS(=O)(=O)Cc1ccc(OC2CCOCC2)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Nc2ccccc2)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AANBENSPLBXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S.C21H25N3O5S.C21H19N3O3S.C21H24N2O5S.C20H22N2O4S/c1-15-11-20(24-8-7-23-22(25)21(15)24)19-13-17(14-29(2,26)27)3-4-18(19)12-16-5-9-28-10-6-16;1-3-30(26,27)12-15-4-5-19(29-16-6-8-28-9-7-16)17(11-15)18-10-14(2)20-21(25)23-22-13-24(18)20;1-14-12-19(24-11-10-22-21(25)20(14)24)17-13-16(28(2,26)27)8-9-18(17)23-15-6-4-3-5-7-15;1-14-11-18(23-8-7-22-21(24)20(14)23)17-12-15(13-29(2,25)26)3-4-19(17)28-16-5-9-27-10-6-16;1-13-9-17(22-8-7-21-20(23)19(13)22)16-10-15(12-27(2,24)25)5-6-18(16)26-11-14-3-4-14/h3-4,7-8,11,13,16H,5-6,9-10,12,14H2,1-2H3,(H,23,25);4-5,10-11,13,16H,3,6-9,12H2,1-2H3,(H,23,25);3-13,23H,1-2H3,(H,22,25);3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,22,24);5-10,14H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 2042.48 g/mol, XLogP of 15.00, 26 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-anilino-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(cyclopropylmethoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-ylmethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 157053831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).