N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C105H109F6N17O20S5 — CID 161169106

IUPACN-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2cccnc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)cnc2OC2CCCCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C23H22F2N4O4S.C21H23F2N3O4S.C21H19N3O4S.C20H22F2N4O4S.C20H23N3O4S/c1-13-9-18(29-8-7-26-21(30)20(13)29)16-11-15(34(31,32)28-23(2,3)4)12-27-22(16)33-19-6-5-14(24)10-17(19)25;1-13-9-17(26-8-7-24-19(27)18(13)26)16-10-14(12-31(2,28)29)11-25-20(16)30-15-3-5-21(22,23)6-4-15;1-14-10-18(24-9-8-23-21(25)20(14)24)17-11-15(13-29(2,26)27)5-6-19(17)28-16-4-3-7-22-12-16;1-12-9-16(26-8-7-23-18(27)17(12)26)15-10-13(25-31(2,28)29)11-24-19(15)30-14-3-5-20(21,22)6-4-14;1-13-10-17(23-9-8-21-19(24)18(13)23)16-11-15(28(2,25)26)12-22-20(16)27-14-6-4-3-5-7-14/h5-12,28H,1-4H3,(H,26,30);7-11,15H,3-6,12H2,1-2H3,(H,24,27);3-12H,13H2,1-2H3,(H,23,25);7-11,14,25H,3-6H2,1-2H3,(H,23,27);8-12,14H,3-7H2,1-2H3,(H,21,24)
InChIKeyUQYDGIHHLFZXRD-UHFFFAOYSA-N
MW2203.45 g/mol
LogP17.42
Rot. Bonds24

About N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 161169106) has the molecular formula C105H109F6N17O20S5 and a molecular weight of 2203.45 g/mol. Its IUPAC name is N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound NameN-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID161169106
Molecular FormulaC105H109F6N17O20S5
Molecular Weight2203.45 g/mol
Exact Mass2201.65
IUPAC NameN-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2cccnc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)cnc2OC2CCCCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C23H22F2N4O4S.C21H23F2N3O4S.C21H19N3O4S.C20H22F2N4O4S.C20H23N3O4S/c1-13-9-18(29-8-7-26-21(30)20(13)29)16-11-15(34(31,32)28-23(2,3)4)12-27-22(16)33-19-6-5-14(24)10-17(19)25;1-13-9-17(26-8-7-24-19(27)18(13)26)16-10-14(12-31(2,28)29)11-25-20(16)30-15-3-5-21(22,23)6-4-15;1-14-10-18(24-9-8-23-21(25)20(14)24)17-11-15(13-29(2,26)27)5-6-19(17)28-16-4-3-7-22-12-16;1-12-9-16(26-8-7-23-18(27)17(12)26)15-10-13(25-31(2,28)29)11-24-19(15)30-14-3-5-20(21,22)6-4-14;1-13-10-17(23-9-8-21-19(24)18(13)23)16-11-15(28(2,25)26)12-22-20(16)27-14-6-4-3-5-7-14/h5-12,28H,1-4H3,(H,26,30);7-11,15H,3-6,12H2,1-2H3,(H,24,27);3-12H,13H2,1-2H3,(H,23,25);7-11,14,25H,3-6H2,1-2H3,(H,23,27);8-12,14H,3-7H2,1-2H3,(H,21,24)
InChIKeyUQYDGIHHLFZXRD-UHFFFAOYSA-N
XLogP17.42
TPSA491.71 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.45
LogP ≤ 517.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-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-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 161169106) is N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2cccnc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)cnc2OC2CCCCC2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is UQYDGIHHLFZXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4S.C21H23F2N3O4S.C21H19N3O4S.C20H22F2N4O4S.C20H23N3O4S/c1-13-9-18(29-8-7-26-21(30)20(13)29)16-11-15(34(31,32)28-23(2,3)4)12-27-22(16)33-19-6-5-14(24)10-17(19)25;1-13-9-17(26-8-7-24-19(27)18(13)26)16-10-14(12-31(2,28)29)11-25-20(16)30-15-3-5-21(22,23)6-4-15;1-14-10-18(24-9-8-23-21(25)20(14)24)17-11-15(13-29(2,26)27)5-6-19(17)28-16-4-3-7-22-12-16;1-12-9-16(26-8-7-23-18(27)17(12)26)15-10-13(25-31(2,28)29)11-24-19(15)30-14-3-5-20(21,22)6-4-14;1-13-10-17(23-9-8-21-19(24)18(13)23)16-11-15(28(2,25)26)12-22-20(16)27-14-6-4-3-5-7-14/h5-12,28H,1-4H3,(H,26,30);7-11,15H,3-6,12H2,1-2H3,(H,24,27);3-12H,13H2,1-2H3,(H,23,25);7-11,14,25H,3-6H2,1-2H3,(H,23,27);8-12,14H,3-7H2,1-2H3,(H,21,24).
What are the key properties of N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 2203.45 g/mol, XLogP of 17.42, 24 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2-cyclohexyloxy-5-methylsulfonyl-3-pyridinyl)-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 161169106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).