N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C85H86F2N10O17S4 — CID 167646007

IUPACN-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2ccn(C)c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H23F2N3O4S.C22H21N3O4S.C20H22N2O5S.C19H20N2O4S/c1-14-11-19(29-10-9-27-23(30)22(14)29)17-13-16(34(31,32)28-24(2,3)4)6-8-20(17)33-21-7-5-15(25)12-18(21)26;1-15-13-19(25-12-11-24(2)22(26)21(15)25)18-14-16(23-30(3,27)28)9-10-20(18)29-17-7-5-4-6-8-17;1-13-11-17(22-8-7-21-20(23)19(13)22)16-12-15(28(2,24)25)3-4-18(16)27-14-5-9-26-10-6-14;1-12-9-16(21-8-7-20-19(22)18(12)21)15-10-14(26(2,23)24)5-6-17(15)25-11-13-3-4-13/h5-13,28H,1-4H3,(H,27,30);4-14,23H,1-3H3;3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,21,23);5-10,13H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyPWNNQXSEXNNYLK-UHFFFAOYSA-N
MW1685.94 g/mol
LogP13.89
Rot. Bonds19

About N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 167646007) has the molecular formula C85H86F2N10O17S4 and a molecular weight of 1685.94 g/mol. Its IUPAC name is N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound NameN-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID167646007
Molecular FormulaC85H86F2N10O17S4
Molecular Weight1685.94 g/mol
Exact Mass1684.50
IUPAC NameN-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2ccn(C)c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H23F2N3O4S.C22H21N3O4S.C20H22N2O5S.C19H20N2O4S/c1-14-11-19(29-10-9-27-23(30)22(14)29)17-13-16(34(31,32)28-24(2,3)4)6-8-20(17)33-21-7-5-15(25)12-18(21)26;1-15-13-19(25-12-11-24(2)22(26)21(15)25)18-14-16(23-30(3,27)28)9-10-20(18)29-17-7-5-4-6-8-17;1-13-11-17(22-8-7-21-20(23)19(13)22)16-12-15(28(2,24)25)3-4-18(16)27-14-5-9-26-10-6-14;1-12-9-16(21-8-7-20-19(22)18(12)21)15-10-14(26(2,23)24)5-6-17(15)25-11-13-3-4-13/h5-13,28H,1-4H3,(H,27,30);4-14,23H,1-3H3;3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,21,23);5-10,13H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyPWNNQXSEXNNYLK-UHFFFAOYSA-N
XLogP13.89
TPSA344.99 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001685.94
LogP ≤ 513.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-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-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 167646007) is N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2ccn(C)c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is PWNNQXSEXNNYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S.C22H21N3O4S.C20H22N2O5S.C19H20N2O4S/c1-14-11-19(29-10-9-27-23(30)22(14)29)17-13-16(34(31,32)28-24(2,3)4)6-8-20(17)33-21-7-5-15(25)12-18(21)26;1-15-13-19(25-12-11-24(2)22(26)21(15)25)18-14-16(23-30(3,27)28)9-10-20(18)29-17-7-5-4-6-8-17;1-13-11-17(22-8-7-21-20(23)19(13)22)16-12-15(28(2,24)25)3-4-18(16)27-14-5-9-26-10-6-14;1-12-9-16(21-8-7-20-19(22)18(12)21)15-10-14(26(2,23)24)5-6-17(15)25-11-13-3-4-13/h5-13,28H,1-4H3,(H,27,30);4-14,23H,1-3H3;3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,21,23);5-10,13H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 1685.94 g/mol, XLogP of 13.89, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(2,8-dimethyl-1-oxopyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]methanesulfonamide;8-methyl-6-[5-methylsulfonyl-2-(oxan-4-yloxy)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 167646007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).