6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C95H95N9O16S4 — CID 167571898

IUPAC6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCS(=O)(=O)Cc1ccc(Oc2c(C)cccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)c1ccc(Oc2c(C)cccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)c1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cccc(C)c1Oc1ccc(NS(C)(=O)=O)cc1-c1cc(C)c2c(=O)[nH]ccn12
InChIInChI=1S/C25H26N2O4S.C24H24N2O4S.C23H23N3O4S.C23H22N2O4S/c1-5-32(29,30)15-19-9-10-22(31-24-16(2)7-6-8-17(24)3)20(14-19)21-13-18(4)23-25(28)26-11-12-27(21)23;1-5-31(28,29)18-9-10-21(30-23-15(2)7-6-8-16(23)3)19(14-18)20-13-17(4)22-24(27)25-11-12-26(20)22;1-14-6-5-7-15(2)22(14)30-20-9-8-17(25-31(4,28)29)13-18(20)19-12-16(3)21-23(27)24-10-11-26(19)21;1-4-30(27,28)17-9-10-21(29-20-8-6-5-7-15(20)2)18(14-17)19-13-16(3)22-23(26)24-11-12-25(19)22/h6-14H,5,15H2,1-4H3,(H,26,28);6-14H,5H2,1-4H3,(H,25,27);5-13,25H,1-4H3,(H,24,27);5-14H,4H2,1-3H3,(H,24,26)
InChIKeyFZZLFPOTJNQEFV-UHFFFAOYSA-N
MW1747.12 g/mol
LogP18.63
Rot. Bonds21

About 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 167571898) has the molecular formula C95H95N9O16S4 and a molecular weight of 1747.12 g/mol. Its IUPAC name is 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID167571898
Molecular FormulaC95H95N9O16S4
Molecular Weight1747.12 g/mol
Exact Mass1745.58
IUPAC Name6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCS(=O)(=O)Cc1ccc(Oc2c(C)cccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)c1ccc(Oc2c(C)cccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)c1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cccc(C)c1Oc1ccc(NS(C)(=O)=O)cc1-c1cc(C)c2c(=O)[nH]ccn12
InChIInChI=1S/C25H26N2O4S.C24H24N2O4S.C23H23N3O4S.C23H22N2O4S/c1-5-32(29,30)15-19-9-10-22(31-24-16(2)7-6-8-17(24)3)20(14-19)21-13-18(4)23-25(28)26-11-12-27(21)23;1-5-31(28,29)18-9-10-21(30-23-15(2)7-6-8-16(23)3)19(14-18)20-13-17(4)22-24(27)25-11-12-26(20)22;1-14-6-5-7-15(2)22(14)30-20-9-8-17(25-31(4,28)29)13-18(20)19-12-16(3)21-23(27)24-10-11-26(19)21;1-4-30(27,28)17-9-10-21(29-20-8-6-5-7-15(20)2)18(14-17)19-13-16(3)22-23(26)24-11-12-25(19)22/h6-14H,5,15H2,1-4H3,(H,26,28);6-14H,5H2,1-4H3,(H,25,27);5-13,25H,1-4H3,(H,24,27);5-14H,4H2,1-3H3,(H,24,26)
InChIKeyFZZLFPOTJNQEFV-UHFFFAOYSA-N
XLogP18.63
TPSA334.59 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.12
LogP ≤ 518.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)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-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 167571898) is 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is CCS(=O)(=O)Cc1ccc(Oc2c(C)cccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)c1ccc(Oc2c(C)cccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)c1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cccc(C)c1Oc1ccc(NS(C)(=O)=O)cc1-c1cc(C)c2c(=O)[nH]ccn12.
What is the InChIKey of 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is FZZLFPOTJNQEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S.C24H24N2O4S.C23H23N3O4S.C23H22N2O4S/c1-5-32(29,30)15-19-9-10-22(31-24-16(2)7-6-8-17(24)3)20(14-19)21-13-18(4)23-25(28)26-11-12-27(21)23;1-5-31(28,29)18-9-10-21(30-23-15(2)7-6-8-16(23)3)19(14-18)20-13-17(4)22-24(27)25-11-12-26(20)22;1-14-6-5-7-15(2)22(14)30-20-9-8-17(25-31(4,28)29)13-18(20)19-12-16(3)21-23(27)24-10-11-26(19)21;1-4-30(27,28)17-9-10-21(29-20-8-6-5-7-15(20)2)18(14-17)19-13-16(3)22-23(26)24-11-12-25(19)22/h6-14H,5,15H2,1-4H3,(H,26,28);6-14H,5H2,1-4H3,(H,25,27);5-13,25H,1-4H3,(H,24,27);5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 1747.12 g/mol, XLogP of 18.63, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(2,6-dimethylphenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 167571898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).