N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide

C106H107N13O18S6 — CID 159562838

IUPACN-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Sc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2CC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H21N3O3S.C22H26N2O3S.C21H19N3O3S2.C21H18N2O4S.C20H23N3O5S/c1-15-12-20(25-11-10-23-22(26)21(15)25)19-14-18(24-29(2,27)28)9-8-17(19)13-16-6-4-3-5-7-16;1-15-12-20(24-11-10-23-22(25)21(15)24)19-14-18(28(2,26)27)9-8-17(19)13-16-6-4-3-5-7-16;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;1-14-12-18(23-11-10-22-21(24)20(14)23)17-13-16(28(2,25)26)8-9-19(17)27-15-6-4-3-5-7-15;1-13-11-17(23-8-7-21-20(24)19(13)23)16-12-14(22-29(2,25)26)3-4-18(16)28-15-5-9-27-10-6-15/h3-12,14,24H,13H2,1-2H3,(H,23,26);8-12,14,16H,3-7,13H2,1-2H3,(H,23,25);3-13,23H,1-2H3,(H,22,25);3-13H,1-2H3,(H,22,24);3-4,7-8,11-12,15,22H,5-6,9-10H2,1-2H3,(H,21,24)
InChIKeyMGVJOLYOQJYQOA-UHFFFAOYSA-N
MW2043.50 g/mol
LogP18.15
Rot. Bonds23

About N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide

N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide (PubChem CID 159562838) has the molecular formula C106H107N13O18S6 and a molecular weight of 2043.50 g/mol. Its IUPAC name is N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide
PubChem CID159562838
Molecular FormulaC106H107N13O18S6
Molecular Weight2043.50 g/mol
Exact Mass2041.62
IUPAC NameN-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Sc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2CC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H21N3O3S.C22H26N2O3S.C21H19N3O3S2.C21H18N2O4S.C20H23N3O5S/c1-15-12-20(25-11-10-23-22(26)21(15)25)19-14-18(24-29(2,27)28)9-8-17(19)13-16-6-4-3-5-7-16;1-15-12-20(24-11-10-23-22(25)21(15)24)19-14-18(28(2,26)27)9-8-17(19)13-16-6-4-3-5-7-16;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;1-14-12-18(23-11-10-22-21(24)20(14)23)17-13-16(28(2,25)26)8-9-19(17)27-15-6-4-3-5-7-15;1-13-11-17(23-8-7-21-20(24)19(13)23)16-12-14(22-29(2,25)26)3-4-18(16)28-15-5-9-27-10-6-15/h3-12,14,24H,13H2,1-2H3,(H,23,26);8-12,14,16H,3-7,13H2,1-2H3,(H,23,25);3-13,23H,1-2H3,(H,22,25);3-13H,1-2H3,(H,22,24);3-4,7-8,11-12,15,22H,5-6,9-10H2,1-2H3,(H,21,24)
InChIKeyMGVJOLYOQJYQOA-UHFFFAOYSA-N
XLogP18.15
TPSA420.83 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002043.50
LogP ≤ 518.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide?
The IUPAC name of N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide (CID 159562838) is N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Sc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2CC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide?
The InChIKey is MGVJOLYOQJYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S.C22H26N2O3S.C21H19N3O3S2.C21H18N2O4S.C20H23N3O5S/c1-15-12-20(25-11-10-23-22(26)21(15)25)19-14-18(24-29(2,27)28)9-8-17(19)13-16-6-4-3-5-7-16;1-15-12-20(24-11-10-23-22(25)21(15)24)19-14-18(28(2,26)27)9-8-17(19)13-16-6-4-3-5-7-16;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;1-14-12-18(23-11-10-22-21(24)20(14)23)17-13-16(28(2,25)26)8-9-19(17)27-15-6-4-3-5-7-15;1-13-11-17(23-8-7-21-20(24)19(13)23)16-12-14(22-29(2,25)26)3-4-18(16)28-15-5-9-27-10-6-15/h3-12,14,24H,13H2,1-2H3,(H,23,26);8-12,14,16H,3-7,13H2,1-2H3,(H,23,25);3-13,23H,1-2H3,(H,22,25);3-13H,1-2H3,(H,22,24);3-4,7-8,11-12,15,22H,5-6,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide?
N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide has a molecular weight of 2043.50 g/mol, XLogP of 18.15, 23 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(cyclohexylmethyl)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-(5-methylsulfonyl-2-phenoxyphenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenylsulfanylphenyl]methanesulfonamide is sourced from PubChem (CID 159562838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).