N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide

C110H102F5N15O18S4 — CID 161400957

IUPACN-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
SMILESCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CC(=O)C2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H28N2O4S.C22H19F2N3O4S.C22H17F2N3O3.C21H18FN3O4S.C21H20N4O3S/c1-16-12-21(26-11-10-25-24(28)23(16)26)20-13-17(15-31(2,29)30)8-9-19(20)14-22(27)18-6-4-3-5-7-18;1-13-10-18(27-9-8-25-22(28)21(13)27)16-12-15(32(29,30)26(2)3)5-7-19(16)31-20-6-4-14(23)11-17(20)24;1-12-9-18(27-8-7-25-22(29)21(12)27)16-11-15(26-13(2)28)4-6-19(16)30-20-5-3-14(23)10-17(20)24;1-13-11-18(25-10-9-24-21(26)20(13)25)17-12-16(30(27,28)23-2)7-8-19(17)29-15-5-3-14(22)4-6-15;1-14-10-19(25-9-8-22-21(26)20(14)25)17-12-16(24-29(2,27)28)13-23-18(17)11-15-6-4-3-5-7-15/h8-13,18H,3-7,14-15H2,1-2H3,(H,25,28);4-12H,1-3H3,(H,25,28);3-11H,1-2H3,(H,25,29)(H,26,28);3-12,23H,1-2H3,(H,24,26);3-10,12-13,24H,11H2,1-2H3,(H,22,26)
InChIKeyVUFPRLQIANOCMK-UHFFFAOYSA-N
MW2145.37 g/mol
LogP18.80
Rot. Bonds25

About N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide

N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide (PubChem CID 161400957) has the molecular formula C110H102F5N15O18S4 and a molecular weight of 2145.37 g/mol. Its IUPAC name is N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
PubChem CID161400957
Molecular FormulaC110H102F5N15O18S4
Molecular Weight2145.37 g/mol
Exact Mass2143.63
IUPAC NameN-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
SMILESCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CC(=O)C2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H28N2O4S.C22H19F2N3O4S.C22H17F2N3O3.C21H18FN3O4S.C21H20N4O3S/c1-16-12-21(26-11-10-25-24(28)23(16)26)20-13-17(15-31(2,29)30)8-9-19(20)14-22(27)18-6-4-3-5-7-18;1-13-10-18(27-9-8-25-22(28)21(13)27)16-12-15(32(29,30)26(2)3)5-7-19(16)31-20-6-4-14(23)11-17(20)24;1-12-9-18(27-8-7-25-22(29)21(12)27)16-11-15(26-13(2)28)4-6-19(16)30-20-5-3-14(23)10-17(20)24;1-13-11-18(25-10-9-24-21(26)20(13)25)17-12-16(30(27,28)23-2)7-8-19(17)29-15-5-3-14(22)4-6-15;1-14-10-19(25-9-8-22-21(26)20(14)25)17-12-16(24-29(2,27)28)13-23-18(17)11-15-6-4-3-5-7-15/h8-13,18H,3-7,14-15H2,1-2H3,(H,25,28);4-12H,1-3H3,(H,25,28);3-11H,1-2H3,(H,25,29)(H,26,28);3-12,23H,1-2H3,(H,24,26);3-10,12-13,24H,11H2,1-2H3,(H,22,26)
InChIKeyVUFPRLQIANOCMK-UHFFFAOYSA-N
XLogP18.80
TPSA436.96 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.37
LogP ≤ 518.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide?
The IUPAC name of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide (CID 161400957) is N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide.
What is the SMILES notation for N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide?
The canonical SMILES for N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide is CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CC(=O)C2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Cc2ccccc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide?
The InChIKey is VUFPRLQIANOCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S.C22H19F2N3O4S.C22H17F2N3O3.C21H18FN3O4S.C21H20N4O3S/c1-16-12-21(26-11-10-25-24(28)23(16)26)20-13-17(15-31(2,29)30)8-9-19(20)14-22(27)18-6-4-3-5-7-18;1-13-10-18(27-9-8-25-22(28)21(13)27)16-12-15(32(29,30)26(2)3)5-7-19(16)31-20-6-4-14(23)11-17(20)24;1-12-9-18(27-8-7-25-22(29)21(12)27)16-11-15(26-13(2)28)4-6-19(16)30-20-5-3-14(23)10-17(20)24;1-13-11-18(25-10-9-24-21(26)20(13)25)17-12-16(30(27,28)23-2)7-8-19(17)29-15-5-3-14(22)4-6-15;1-14-10-19(25-9-8-22-21(26)20(14)25)17-12-16(24-29(2,27)28)13-23-18(17)11-15-6-4-3-5-7-15/h8-13,18H,3-7,14-15H2,1-2H3,(H,25,28);4-12H,1-3H3,(H,25,28);3-11H,1-2H3,(H,25,29)(H,26,28);3-12,23H,1-2H3,(H,24,26);3-10,12-13,24H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide?
N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide has a molecular weight of 2145.37 g/mol, XLogP of 18.80, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2-cyclohexyl-2-oxoethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide;4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 161400957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).