N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide

C98H102F2N18O22S5 — CID 160585709

IUPACN-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;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)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OCC2CC2)n2cc[nH]c(=O)c12.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.C20H16F2N4O4S.C20H18N4O4S.C19H22N4O5S.C18H20N4O4S/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;1-11-7-16(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;1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14;1-11-7-15(22-6-5-19-17(23)16(11)22)14-8-13(21-27(2,24)25)9-20-18(14)26-10-12-3-4-12/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24);3-10,25H,1-2H3,(H,23,27);3-12,23H,1-2H3,(H,21,25);5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24);5-9,12,21H,3-4,10H2,1-2H3,(H,19,23)
InChIKeyRCJBBGHSTSHKCT-UHFFFAOYSA-N
MW2082.33 g/mol
LogP13.00
Rot. Bonds26

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

N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide (PubChem CID 160585709) has the molecular formula C98H102F2N18O22S5 and a molecular weight of 2082.33 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
PubChem CID160585709
Molecular FormulaC98H102F2N18O22S5
Molecular Weight2082.33 g/mol
Exact Mass2080.60
IUPAC NameN-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;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)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OCC2CC2)n2cc[nH]c(=O)c12.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.C20H16F2N4O4S.C20H18N4O4S.C19H22N4O5S.C18H20N4O4S/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;1-11-7-16(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;1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14;1-11-7-15(22-6-5-19-17(23)16(11)22)14-8-13(21-27(2,24)25)9-20-18(14)26-10-12-3-4-12/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24);3-10,25H,1-2H3,(H,23,27);3-12,23H,1-2H3,(H,21,25);5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24);5-9,12,21H,3-4,10H2,1-2H3,(H,19,23)
InChIKeyRCJBBGHSTSHKCT-UHFFFAOYSA-N
XLogP13.00
TPSA518.10 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.33
LogP ≤ 513.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;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 N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide (CID 160585709) is N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;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 N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;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)ccc2OC2CCOCC2)n2c1C(=O)NCC2.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OCC2CC2)n2cc[nH]c(=O)c12.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 N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is RCJBBGHSTSHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S.C20H16F2N4O4S.C20H18N4O4S.C19H22N4O5S.C18H20N4O4S/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;1-11-7-16(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;1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14;1-11-7-15(22-6-5-19-17(23)16(11)22)14-8-13(21-27(2,24)25)9-20-18(14)26-10-12-3-4-12/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24);3-10,25H,1-2H3,(H,23,27);3-12,23H,1-2H3,(H,21,25);5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24);5-9,12,21H,3-4,10H2,1-2H3,(H,19,23).
What are the key properties of N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 2082.33 g/mol, XLogP of 13.00, 26 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;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-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 160585709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).