7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine

C105H111IN12O20S3 — CID 157092206

IUPAC7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(-c2cnc3[nH]cc(C(=O)CC4CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(C#CC2CCCCC2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(C(=O)CC2CCCCC2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C30H33N3O6S.C30H31N3O5S.C23H27N3O4.C22H20IN3O5S/c1-19-10-12-22(13-11-19)40(35,36)33-18-23(25(34)14-20-8-6-5-7-9-20)28-30(33)31-17-24(32-28)21-15-26(37-2)29(39-4)27(16-21)38-3;1-20-10-14-24(15-11-20)39(34,35)33-19-22(13-12-21-8-6-5-7-9-21)28-30(33)31-18-25(32-28)23-16-26(36-2)29(38-4)27(17-23)37-3;1-28-19-10-15(11-20(29-2)22(19)30-3)17-13-25-23-21(26-17)16(12-24-23)18(27)9-14-7-5-4-6-8-14;1-13-5-7-15(8-6-13)32(27,28)26-12-16(23)20-22(26)24-11-17(25-20)14-9-18(29-2)21(31-4)19(10-14)30-3/h10-13,15-18,20H,5-9,14H2,1-4H3;10-11,14-19,21H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3,(H,24,25);5-12H,1-4H3
InChIKeyAEUGPHJVVKVDAD-UHFFFAOYSA-N
MW2084.21 g/mol
LogP20.50
Rot. Bonds28

About 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine

7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine (PubChem CID 157092206) has the molecular formula C105H111IN12O20S3 and a molecular weight of 2084.21 g/mol. Its IUPAC name is 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine
PubChem CID157092206
Molecular FormulaC105H111IN12O20S3
Molecular Weight2084.21 g/mol
Exact Mass2082.62
IUPAC Name7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(-c2cnc3[nH]cc(C(=O)CC4CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(C#CC2CCCCC2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(C(=O)CC2CCCCC2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C30H33N3O6S.C30H31N3O5S.C23H27N3O4.C22H20IN3O5S/c1-19-10-12-22(13-11-19)40(35,36)33-18-23(25(34)14-20-8-6-5-7-9-20)28-30(33)31-17-24(32-28)21-15-26(37-2)29(39-4)27(16-21)38-3;1-20-10-14-24(15-11-20)39(34,35)33-19-22(13-12-21-8-6-5-7-9-21)28-30(33)31-18-25(32-28)23-16-26(36-2)29(38-4)27(17-23)37-3;1-28-19-10-15(11-20(29-2)22(19)30-3)17-13-25-23-21(26-17)16(12-24-23)18(27)9-14-7-5-4-6-8-14;1-13-5-7-15(8-6-13)32(27,28)26-12-16(23)20-22(26)24-11-17(25-20)14-9-18(29-2)21(31-4)19(10-14)30-3/h10-13,15-18,20H,5-9,14H2,1-4H3;10-11,14-19,21H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3,(H,24,25);5-12H,1-4H3
InChIKeyAEUGPHJVVKVDAD-UHFFFAOYSA-N
XLogP20.50
TPSA381.02 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.21
LogP ≤ 520.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

2-Cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone
CID 59540867
N-[2,2-dimethyl-3-oxo-3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-N-prop-2-enylbenzenesulfonamide
CID 59541053
2,4-bis[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]pentan-3-one
CID 151303211
2,4-bis[4-methyl-4-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]piperidin-1-yl]pentan-3-one
CID 151820641
(4-methyl-1,1-dioxothian-4-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;(4-methylthian-4-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 157412876
1-adamantyl-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone;1-adamantyl-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-bromo-5H-pyrrolo[2,3-b]pyrazine
CID 157569890
7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-phenylethynyl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-phenyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone
CID 157753619
(1-methylcyclopentyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 158860803
2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 159042884
2,2-dimethyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-one;2,2-dimethyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-4-en-1-one
CID 159218154
2-bromo-5H-pyrrolo[2,3-b]pyrazine;7-iodo-5-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;bis(2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine)
CID 160338717
[2-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone;(3,5-dimethoxy-4-methylphenyl)-[1-methyl-2-(1-methylindol-3-yl)imidazol-4-yl]methanone;methane
CID 160359514

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine (CID 157092206) is 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine is COc1cc(-c2cnc3[nH]cc(C(=O)CC4CCCCC4)c3n2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(C#CC2CCCCC2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(C(=O)CC2CCCCC2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.COc1cc(-c2cnc3c(n2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine?
The InChIKey is AEUGPHJVVKVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O6S.C30H31N3O5S.C23H27N3O4.C22H20IN3O5S/c1-19-10-12-22(13-11-19)40(35,36)33-18-23(25(34)14-20-8-6-5-7-9-20)28-30(33)31-17-24(32-28)21-15-26(37-2)29(39-4)27(16-21)38-3;1-20-10-14-24(15-11-20)39(34,35)33-19-22(13-12-21-8-6-5-7-9-21)28-30(33)31-18-25(32-28)23-16-26(36-2)29(38-4)27(17-23)37-3;1-28-19-10-15(11-20(29-2)22(19)30-3)17-13-25-23-21(26-17)16(12-24-23)18(27)9-14-7-5-4-6-8-14;1-13-5-7-15(8-6-13)32(27,28)26-12-16(23)20-22(26)24-11-17(25-20)14-9-18(29-2)21(31-4)19(10-14)30-3/h10-13,15-18,20H,5-9,14H2,1-4H3;10-11,14-19,21H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3,(H,24,25);5-12H,1-4H3.
What are the key properties of 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine?
7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine has a molecular weight of 2084.21 g/mol, XLogP of 20.50, 28 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 157092206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).