N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C89H105F2N9O16S4 — CID 167634643

IUPACN-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H31N3O4S.C22H24F2N2O4S.C22H26N2O4S.C21H24N2O4S/c1-16-14-20(27-13-12-25-23(28)22(16)27)19-15-18(32(29,30)26-24(2,3)4)10-11-21(19)31-17-8-6-5-7-9-17;1-14-11-18(26-10-9-25-21(27)20(14)26)17-12-15(13-31(2,28)29)3-4-19(17)30-16-5-7-22(23,24)8-6-16;1-15-12-19(24-11-10-23-22(25)21(15)24)18-13-16(14-29(2,26)27)8-9-20(18)28-17-6-4-3-5-7-17;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/h10-15,17,26H,5-9H2,1-4H3,(H,25,28);3-4,9-12,16H,5-8,13H2,1-2H3,(H,25,27);8-13,17H,3-7,14H2,1-2H3,(H,23,25);8-13,15H,3-7H2,1-2H3,(H,22,24)
InChIKeyOHKBOXHWSZBKKJ-UHFFFAOYSA-N
MW1723.13 g/mol
LogP16.07
Rot. Bonds19

About N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 167634643) has the molecular formula C89H105F2N9O16S4 and a molecular weight of 1723.13 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound NameN-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID167634643
Molecular FormulaC89H105F2N9O16S4
Molecular Weight1723.13 g/mol
Exact Mass1721.65
IUPAC NameN-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H31N3O4S.C22H24F2N2O4S.C22H26N2O4S.C21H24N2O4S/c1-16-14-20(27-13-12-25-23(28)22(16)27)19-15-18(32(29,30)26-24(2,3)4)10-11-21(19)31-17-8-6-5-7-9-17;1-14-11-18(26-10-9-25-21(27)20(14)26)17-12-15(13-31(2,28)29)3-4-19(17)30-16-5-7-22(23,24)8-6-16;1-15-12-19(24-11-10-23-22(25)21(15)24)18-13-16(14-29(2,26)27)8-9-20(18)28-17-6-4-3-5-7-17;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/h10-15,17,26H,5-9H2,1-4H3,(H,25,28);3-4,9-12,16H,5-8,13H2,1-2H3,(H,25,27);8-13,17H,3-7,14H2,1-2H3,(H,23,25);8-13,15H,3-7H2,1-2H3,(H,22,24)
InChIKeyOHKBOXHWSZBKKJ-UHFFFAOYSA-N
XLogP16.07
TPSA334.59 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001723.13
LogP ≤ 516.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)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 N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 167634643) is N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCCC2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OHKBOXHWSZBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S.C22H24F2N2O4S.C22H26N2O4S.C21H24N2O4S/c1-16-14-20(27-13-12-25-23(28)22(16)27)19-15-18(32(29,30)26-24(2,3)4)10-11-21(19)31-17-8-6-5-7-9-17;1-14-11-18(26-10-9-25-21(27)20(14)26)17-12-15(13-31(2,28)29)3-4-19(17)30-16-5-7-22(23,24)8-6-16;1-15-12-19(24-11-10-23-22(25)21(15)24)18-13-16(14-29(2,26)27)8-9-20(18)28-17-6-4-3-5-7-17;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/h10-15,17,26H,5-9H2,1-4H3,(H,25,28);3-4,9-12,16H,5-8,13H2,1-2H3,(H,25,27);8-13,17H,3-7,14H2,1-2H3,(H,23,25);8-13,15H,3-7H2,1-2H3,(H,22,24).
What are the key properties of N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 1723.13 g/mol, XLogP of 16.07, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclohexyloxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-(2-cyclohexyloxy-5-methylsulfonylphenyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 167634643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).