6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide

C100H111N17O20S5 — CID 159625580

IUPAC6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2cn[nH]c(=O)c12
InChIInChI=1S/C23H28N2O4S.C21H24N2O3S.C19H17N5O4S.C19H22N4O5S.C18H20N4O4S/c1-16-13-21(25-10-9-24-23(26)22(16)25)20-14-18(15-30(2,27)28)4-6-19(20)5-3-17-7-11-29-12-8-17;1-14-11-19(23-10-9-22-21(24)20(14)23)18-12-16(13-27(2,25)26)6-8-17(18)7-5-15-3-4-15;1-12-8-16(24-11-21-22-19(25)18(12)24)15-9-13(23-29(2,26)27)5-6-17(15)28-14-4-3-7-20-10-14;1-12-9-16(23-11-20-21-19(24)18(12)23)15-10-13(22-29(2,25)26)3-4-17(15)28-14-5-7-27-8-6-14;1-11-7-15(22-10-19-20-18(23)17(11)22)14-8-13(21-27(2,24)25)5-6-16(14)26-9-12-3-4-12/h4,6,9-10,13-14,17H,3,5,7-8,11-12,15H2,1-2H3,(H,24,26);6,8-12,15H,3-5,7,13H2,1-2H3,(H,22,24);3-11,23H,1-2H3,(H,22,25);3-4,9-11,14,22H,5-8H2,1-2H3,(H,21,24);5-8,10,12,21H,3-4,9H2,1-2H3,(H,20,23)
InChIKeyMOLFCBWJVIXWNE-UHFFFAOYSA-N
MW2031.42 g/mol
LogP13.64
Rot. Bonds28

About 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide

6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (PubChem CID 159625580) has the molecular formula C100H111N17O20S5 and a molecular weight of 2031.42 g/mol. Its IUPAC name is 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
PubChem CID159625580
Molecular FormulaC100H111N17O20S5
Molecular Weight2031.42 g/mol
Exact Mass2029.68
IUPAC Name6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2cn[nH]c(=O)c12
InChIInChI=1S/C23H28N2O4S.C21H24N2O3S.C19H17N5O4S.C19H22N4O5S.C18H20N4O4S/c1-16-13-21(25-10-9-24-23(26)22(16)25)20-14-18(15-30(2,27)28)4-6-19(20)5-3-17-7-11-29-12-8-17;1-14-11-19(23-10-9-22-21(24)20(14)23)18-12-16(13-27(2,25)26)6-8-17(18)7-5-15-3-4-15;1-12-8-16(24-11-21-22-19(25)18(12)24)15-9-13(23-29(2,26)27)5-6-17(15)28-14-4-3-7-20-10-14;1-12-9-16(23-11-20-21-19(24)18(12)23)15-10-13(22-29(2,25)26)3-4-17(15)28-14-5-7-27-8-6-14;1-11-7-15(22-10-19-20-18(23)17(11)22)14-8-13(21-27(2,24)25)5-6-16(14)26-9-12-3-4-12/h4,6,9-10,13-14,17H,3,5,7-8,11-12,15H2,1-2H3,(H,24,26);6,8-12,15H,3-5,7,13H2,1-2H3,(H,22,24);3-11,23H,1-2H3,(H,22,25);3-4,9-11,14,22H,5-8H2,1-2H3,(H,21,24);5-8,10,12,21H,3-4,9H2,1-2H3,(H,20,23)
InChIKeyMOLFCBWJVIXWNE-UHFFFAOYSA-N
XLogP13.64
TPSA490.85 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002031.42
LogP ≤ 513.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
The IUPAC name of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (CID 159625580) is 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.
What is the SMILES notation for 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
The canonical SMILES for 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2cn[nH]c(=O)c12.
What is the InChIKey of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
The InChIKey is MOLFCBWJVIXWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S.C21H24N2O3S.C19H17N5O4S.C19H22N4O5S.C18H20N4O4S/c1-16-13-21(25-10-9-24-23(26)22(16)25)20-14-18(15-30(2,27)28)4-6-19(20)5-3-17-7-11-29-12-8-17;1-14-11-19(23-10-9-22-21(24)20(14)23)18-12-16(13-27(2,25)26)6-8-17(18)7-5-15-3-4-15;1-12-8-16(24-11-21-22-19(25)18(12)24)15-9-13(23-29(2,26)27)5-6-17(15)28-14-4-3-7-20-10-14;1-12-9-16(23-11-20-21-19(24)18(12)23)15-10-13(22-29(2,25)26)3-4-17(15)28-14-5-7-27-8-6-14;1-11-7-15(22-10-19-20-18(23)17(11)22)14-8-13(21-27(2,24)25)5-6-16(14)26-9-12-3-4-12/h4,6,9-10,13-14,17H,3,5,7-8,11-12,15H2,1-2H3,(H,24,26);6,8-12,15H,3-5,7,13H2,1-2H3,(H,22,24);3-11,23H,1-2H3,(H,22,25);3-4,9-11,14,22H,5-8H2,1-2H3,(H,21,24);5-8,10,12,21H,3-4,9H2,1-2H3,(H,20,23).
What are the key properties of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?
6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide has a molecular weight of 2031.42 g/mol, XLogP of 13.64, 28 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is sourced from PubChem (CID 159625580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).