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

C82H86F2N12O16S4 — CID 167547095

IUPAC6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C21H26N2O5S.C21H26N2O3S.C20H16F2N4O4S.C20H18N4O4S/c1-14-11-18(23-8-7-22-21(24)20(14)23)17-12-15(13-29(2,25)26)3-4-19(17)28-16-5-9-27-10-6-16;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;1-11-7-16(26-6-5-23-19(27)18(11)26)14-9-13(25-31(2,28)29)10-24-20(14)30-17-4-3-12(21)8-15(17)22;1-13-10-17(24-9-8-21-19(25)18(13)24)16-11-14(23-29(2,26)27)12-22-20(16)28-15-6-4-3-5-7-15/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24);6,8,11-12,15H,3-5,7,9-10,13H2,1-2H3,(H,22,24);3-10,25H,1-2H3,(H,23,27);3-12,23H,1-2H3,(H,21,25)
InChIKeyBXUHJTHTVNFZJB-UHFFFAOYSA-N
MW1661.92 g/mol
LogP12.01
Rot. Bonds21

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

6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide (PubChem CID 167547095) has the molecular formula C82H86F2N12O16S4 and a molecular weight of 1661.92 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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
PubChem CID167547095
Molecular FormulaC82H86F2N12O16S4
Molecular Weight1661.92 g/mol
Exact Mass1660.51
IUPAC Name6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C21H26N2O5S.C21H26N2O3S.C20H16F2N4O4S.C20H18N4O4S/c1-14-11-18(23-8-7-22-21(24)20(14)23)17-12-15(13-29(2,25)26)3-4-19(17)28-16-5-9-27-10-6-16;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;1-11-7-16(26-6-5-23-19(27)18(11)26)14-9-13(25-31(2,28)29)10-24-20(14)30-17-4-3-12(21)8-15(17)22;1-13-10-17(24-9-8-21-19(25)18(13)24)16-11-14(23-29(2,26)27)12-22-20(16)28-15-6-4-3-5-7-15/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24);6,8,11-12,15H,3-5,7,9-10,13H2,1-2H3,(H,22,24);3-10,25H,1-2H3,(H,23,27);3-12,23H,1-2H3,(H,21,25)
InChIKeyBXUHJTHTVNFZJB-UHFFFAOYSA-N
XLogP12.01
TPSA365.92 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001661.92
LogP ≤ 512.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]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-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide (CID 167547095) is 6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2CCC2CC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)n2cc[nH]c(=O)c12.
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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is BXUHJTHTVNFZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S.C21H26N2O3S.C20H16F2N4O4S.C20H18N4O4S/c1-14-11-18(23-8-7-22-21(24)20(14)23)17-12-15(13-29(2,25)26)3-4-19(17)28-16-5-9-27-10-6-16;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;1-11-7-16(26-6-5-23-19(27)18(11)26)14-9-13(25-31(2,28)29)10-24-20(14)30-17-4-3-12(21)8-15(17)22;1-13-10-17(24-9-8-21-19(25)18(13)24)16-11-14(23-29(2,26)27)12-22-20(16)28-15-6-4-3-5-7-15/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24);6,8,11-12,15H,3-5,7,9-10,13H2,1-2H3,(H,22,24);3-10,25H,1-2H3,(H,23,27);3-12,23H,1-2H3,(H,21,25).
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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 1661.92 g/mol, XLogP of 12.01, 21 rotatable bonds, 6 hydrogen bond donors, and 22 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-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-(oxan-4-yloxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 167547095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).