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;6-[2-(2,4-difluorophenoxy)-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

C86H81F2N9O14S4 — CID 167653461

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;6-[2-(2,4-difluorophenoxy)-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
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2CC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H21N3O3S.C22H26N2O3S.C21H16F2N2O4S.C21H18N2O4S/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;1-12-9-17(25-8-7-24-21(26)20(12)25)15-11-14(30(2,27)28)4-6-18(15)29-19-5-3-13(22)10-16(19)23;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/h3-12,14,24H,13H2,1-2H3,(H,23,26);8-12,14,16H,3-7,13H2,1-2H3,(H,23,25);3-11H,1-2H3,(H,24,26);3-13H,1-2H3,(H,22,24)
InChIKeyQXKPCRXGVAYPAA-UHFFFAOYSA-N
MW1630.91 g/mol
LogP15.57
Rot. Bonds17

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;6-[2-(2,4-difluorophenoxy)-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-[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;6-[2-(2,4-difluorophenoxy)-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 (PubChem CID 167653461) has the molecular formula C86H81F2N9O14S4 and a molecular weight of 1630.91 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;6-[2-(2,4-difluorophenoxy)-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.

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;6-[2-(2,4-difluorophenoxy)-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
PubChem CID167653461
Molecular FormulaC86H81F2N9O14S4
Molecular Weight1630.91 g/mol
Exact Mass1629.48
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;6-[2-(2,4-difluorophenoxy)-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
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2CC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C22H21N3O3S.C22H26N2O3S.C21H16F2N2O4S.C21H18N2O4S/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;1-12-9-17(25-8-7-24-21(26)20(12)25)15-11-14(30(2,27)28)4-6-18(15)29-19-5-3-13(22)10-16(19)23;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/h3-12,14,24H,13H2,1-2H3,(H,23,26);8-12,14,16H,3-7,13H2,1-2H3,(H,23,25);3-11H,1-2H3,(H,24,26);3-13H,1-2H3,(H,22,24)
InChIKeyQXKPCRXGVAYPAA-UHFFFAOYSA-N
XLogP15.57
TPSA316.13 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001630.91
LogP ≤ 515.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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;6-[2-(2,4-difluorophenoxy)-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 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;6-[2-(2,4-difluorophenoxy)-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?
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;6-[2-(2,4-difluorophenoxy)-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 (CID 167653461) 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;6-[2-(2,4-difluorophenoxy)-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.
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;6-[2-(2,4-difluorophenoxy)-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?
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;6-[2-(2,4-difluorophenoxy)-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 is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2CC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)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;6-[2-(2,4-difluorophenoxy)-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?
The InChIKey is QXKPCRXGVAYPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S.C22H26N2O3S.C21H16F2N2O4S.C21H18N2O4S/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;1-12-9-17(25-8-7-24-21(26)20(12)25)15-11-14(30(2,27)28)4-6-18(15)29-19-5-3-13(22)10-16(19)23;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/h3-12,14,24H,13H2,1-2H3,(H,23,26);8-12,14,16H,3-7,13H2,1-2H3,(H,23,25);3-11H,1-2H3,(H,24,26);3-13H,1-2H3,(H,22,24).
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;6-[2-(2,4-difluorophenoxy)-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-[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;6-[2-(2,4-difluorophenoxy)-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 has a molecular weight of 1630.91 g/mol, XLogP of 15.57, 17 rotatable bonds, 5 hydrogen bond donors, and 18 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;6-[2-(2,4-difluorophenoxy)-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 is sourced from PubChem (CID 167653461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).