N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide

C87H87F2N13O15S3 — CID 167624295

IUPACN-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2cccnc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cccc(C)c1Oc1ncc(C(C)(C)O)cc1-c1cc(C)c2c(=O)[nH]ccn12.Cc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1-c1cc(C)c2c(=O)[nH]ccn12
InChIInChI=1S/C24H25N3O3.C22H21N3O4S.C21H19N3O4S.C20H22F2N4O4S/c1-14-7-6-8-15(2)21(14)30-23-18(12-17(13-26-23)24(4,5)29)19-11-16(3)20-22(28)25-9-10-27(19)20;1-14-6-4-5-7-19(14)29-20-9-8-16(24-30(3,27)28)13-17(20)18-12-15(2)21-22(26)23-10-11-25(18)21;1-14-10-18(24-9-8-23-21(25)20(14)24)17-11-15(13-29(2,26)27)5-6-19(17)28-16-4-3-7-22-12-16;1-12-9-16(26-8-7-23-18(27)17(12)26)15-10-13(25-31(2,28)29)11-24-19(15)30-14-3-5-20(21,22)6-4-14/h6-13,29H,1-5H3,(H,25,28);4-13,24H,1-3H3,(H,23,26);3-12H,13H2,1-2H3,(H,23,25);7-11,14,25H,3-6H2,1-2H3,(H,23,27)
InChIKeyMWKTZEZCLSLXGX-UHFFFAOYSA-N
MW1688.93 g/mol
LogP15.37
Rot. Bonds19

About N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide

N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide (PubChem CID 167624295) has the molecular formula C87H87F2N13O15S3 and a molecular weight of 1688.93 g/mol. Its IUPAC name is N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide
PubChem CID167624295
Molecular FormulaC87H87F2N13O15S3
Molecular Weight1688.93 g/mol
Exact Mass1687.56
IUPAC NameN-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2cccnc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cccc(C)c1Oc1ncc(C(C)(C)O)cc1-c1cc(C)c2c(=O)[nH]ccn12.Cc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1-c1cc(C)c2c(=O)[nH]ccn12
InChIInChI=1S/C24H25N3O3.C22H21N3O4S.C21H19N3O4S.C20H22F2N4O4S/c1-14-7-6-8-15(2)21(14)30-23-18(12-17(13-26-23)24(4,5)29)19-11-16(3)20-22(28)25-9-10-27(19)20;1-14-6-4-5-7-19(14)29-20-9-8-16(24-30(3,27)28)13-17(20)18-12-15(2)21-22(26)23-10-11-25(18)21;1-14-10-18(24-9-8-23-21(25)20(14)24)17-11-15(13-29(2,26)27)5-6-19(17)28-16-4-3-7-22-12-16;1-12-9-16(26-8-7-23-18(27)17(12)26)15-10-13(25-31(2,28)29)11-24-19(15)30-14-3-5-20(21,22)6-4-14/h6-13,29H,1-5H3,(H,25,28);4-13,24H,1-3H3,(H,23,26);3-12H,13H2,1-2H3,(H,23,25);7-11,14,25H,3-6H2,1-2H3,(H,23,27)
InChIKeyMWKTZEZCLSLXGX-UHFFFAOYSA-N
XLogP15.37
TPSA371.38 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.93
LogP ≤ 515.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide (CID 167624295) is N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide is Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2cccnc2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.Cc1cccc(C)c1Oc1ncc(C(C)(C)O)cc1-c1cc(C)c2c(=O)[nH]ccn12.Cc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1-c1cc(C)c2c(=O)[nH]ccn12.
What is the InChIKey of N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide?
The InChIKey is MWKTZEZCLSLXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.C22H21N3O4S.C21H19N3O4S.C20H22F2N4O4S/c1-14-7-6-8-15(2)21(14)30-23-18(12-17(13-26-23)24(4,5)29)19-11-16(3)20-22(28)25-9-10-27(19)20;1-14-6-4-5-7-19(14)29-20-9-8-16(24-30(3,27)28)13-17(20)18-12-15(2)21-22(26)23-10-11-25(18)21;1-14-10-18(24-9-8-23-21(25)20(14)24)17-11-15(13-29(2,26)27)5-6-19(17)28-16-4-3-7-22-12-16;1-12-9-16(26-8-7-23-18(27)17(12)26)15-10-13(25-31(2,28)29)11-24-19(15)30-14-3-5-20(21,22)6-4-14/h6-13,29H,1-5H3,(H,25,28);4-13,24H,1-3H3,(H,23,26);3-12H,13H2,1-2H3,(H,23,25);7-11,14,25H,3-6H2,1-2H3,(H,23,27).
What are the key properties of N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide?
N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide has a molecular weight of 1688.93 g/mol, XLogP of 15.37, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4,4-difluorocyclohexyl)oxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;8-methyl-6-[5-(methylsulfonylmethyl)-2-pyridin-3-yloxyphenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(2-methylphenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 167624295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).