ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

C134H125BN20O22S4 — CID 158952944

About ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 158952944) has the molecular formula C134H125BN20O22S4 and a molecular weight of 2506.67 g/mol. Its IUPAC name is ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• PubChem CID: 158952944
• Molecular Formula: C134H125BN20O22S4
• Molecular Weight: 2506.67 g/mol
• Exact Mass: 2504.83
• IUPAC Name: ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• SMILES: CCOC(=O)Cc1cncc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)n1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cncc(CC(=O)N(C)C)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cncc(CC(=O)O)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C29H27N5O4S.C29H26N4O5S.C27H29BN2O5S.C27H22N4O5S.C22H21N5O3/c1-19-9-11-22(12-10-19)39(36,37)34-18-25(23-7-5-6-8-27(23)38-4)24-13-20(15-31-29(24)34)26-17-30-16-21(32-26)14-28(35)33(2)3;1-4-38-28(34)14-21-16-30-17-26(32-21)20-13-24-25(23-7-5-6-8-27(23)37-3)18-33(29(24)31-15-20)39(35,36)22-11-9-19(2)10-12-22;1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28;1-17-7-9-20(10-8-17)37(34,35)31-16-23(21-5-3-4-6-25(21)36-2)22-11-18(13-29-27(22)31)24-15-28-14-19(30-24)12-26(32)33;1-27(2)22(29)20(28)18-12-23-11-17(26-18)13-8-15-16(10-25-21(15)24-9-13)14-6-4-5-7-19(14)30-3/h5-13,15-18H,14H2,1-4H3;5-13,15-18H,4,14H2,1-3H3;7-17H,1-6H3;3-11,13-16H,12H2,1-2H3,(H,32,33);4-12,20,28H,1-3H3,(H,24,25)
• InChIKey: JLQTZLQYLVJHAZ-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 528.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2506.67
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The IUPAC name of ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (CID 158952944) is ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

What is the SMILES notation for ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The canonical SMILES for ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is CCOC(=O)Cc1cncc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)n1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cncc(CC(=O)N(C)C)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cncc(CC(=O)O)n3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The InChIKey is JLQTZLQYLVJHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4S.C29H26N4O5S.C27H29BN2O5S.C27H22N4O5S.C22H21N5O3/c1-19-9-11-22(12-10-19)39(36,37)34-18-25(23-7-5-6-8-27(23)38-4)24-13-20(15-31-29(24)34)26-17-30-16-21(32-26)14-28(35)33(2)3;1-4-38-28(34)14-21-16-30-17-26(32-21)20-13-24-25(23-7-5-6-8-27(23)37-3)18-33(29(24)31-15-20)39(35,36)22-11-9-19(2)10-12-22;1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28;1-17-7-9-20(10-8-17)37(34,35)31-16-23(21-5-3-4-6-25(21)36-2)22-11-18(13-29-27(22)31)24-15-28-14-19(30-24)12-26(32)33;1-27(2)22(29)20(28)18-12-23-11-17(26-18)13-8-15-16(10-25-21(15)24-9-13)14-6-4-5-7-19(14)30-3/h5-13,15-18H,14H2,1-4H3;5-13,15-18H,4,14H2,1-3H3;7-17H,1-6H3;3-11,13-16H,12H2,1-2H3,(H,32,33);4-12,20,28H,1-3H3,(H,24,25).

What are the key properties of ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 2506.67 g/mol, XLogP of 20.88, 32 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetate;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]acetic acid;2-[6-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylacetamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158952944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).