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

C102H114F2N14O20S5 — CID 158282333

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

6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (PubChem CID 158282333) has the molecular formula C102H114F2N14O20S5 and a molecular weight of 2054.44 g/mol. Its IUPAC name is 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
• PubChem CID: 158282333
• Molecular Formula: C102H114F2N14O20S5
• Molecular Weight: 2054.44 g/mol
• Exact Mass: 2052.69
• IUPAC Name: 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
• SMILES: Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2c1C(=O)NCC2
• InChI: InChI=1S/C22H20F2N2O4S.C21H26N2O3S.C20H20N4O4S.C20H25N3O5S.C19H23N3O4S/c1-13-9-18(26-8-7-25-22(27)21(13)26)16-10-14(12-31(2,28)29)3-5-19(16)30-20-6-4-15(23)11-17(20)24;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;1-13-10-17(24-9-8-22-20(25)19(13)24)16-11-14(23-29(2,26)27)5-6-18(16)28-15-4-3-7-21-12-15;1-13-11-17(23-8-7-21-20(24)19(13)23)16-12-14(22-29(2,25)26)3-4-18(16)28-15-5-9-27-10-6-15;1-12-9-16(22-8-7-20-19(23)18(12)22)15-10-14(21-27(2,24)25)5-6-17(15)26-11-13-3-4-13/h3-6,9-11H,7-8,12H2,1-2H3,(H,25,27);6,8,11-12,15H,3-5,7,9-10,13H2,1-2H3,(H,22,24);3-7,10-12,23H,8-9H2,1-2H3,(H,22,25);3-4,11-12,15,22H,5-10H2,1-2H3,(H,21,24);5-6,9-10,13,21H,3-4,7-8,11H2,1-2H3,(H,20,23)
• InChIKey: GKIYKWHWOOOHHO-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 435.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.44
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

The IUPAC name of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (CID 158282333) is 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.

What is the SMILES notation for 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

The canonical SMILES for 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2c1C(=O)NCC2.

What is the InChIKey of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

The InChIKey is GKIYKWHWOOOHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S.C21H26N2O3S.C20H20N4O4S.C20H25N3O5S.C19H23N3O4S/c1-13-9-18(26-8-7-25-22(27)21(13)26)16-10-14(12-31(2,28)29)3-5-19(16)30-20-6-4-15(23)11-17(20)24;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;1-13-10-17(24-9-8-22-20(25)19(13)24)16-11-14(23-29(2,26)27)5-6-18(16)28-15-4-3-7-21-12-15;1-13-11-17(23-8-7-21-20(24)19(13)23)16-12-14(22-29(2,25)26)3-4-18(16)28-15-5-9-27-10-6-15;1-12-9-16(22-8-7-20-19(23)18(12)22)15-10-14(21-27(2,24)25)5-6-17(15)26-11-13-3-4-13/h3-6,9-11H,7-8,12H2,1-2H3,(H,25,27);6,8,11-12,15H,3-5,7,9-10,13H2,1-2H3,(H,22,24);3-7,10-12,23H,8-9H2,1-2H3,(H,22,25);3-4,11-12,15,22H,5-10H2,1-2H3,(H,21,24);5-6,9-10,13,21H,3-4,7-8,11H2,1-2H3,(H,20,23).

What are the key properties of 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide has a molecular weight of 2054.44 g/mol, XLogP of 14.19, 27 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is sourced from PubChem (CID 158282333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).