5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine

C106H104B2Br2IN11O17S6 — CID 158025987

About 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine

5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine (PubChem CID 158025987) has the molecular formula C106H104B2Br2IN11O17S6 and a molecular weight of 2304.80 g/mol. Its IUPAC name is 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
• PubChem CID: 158025987
• Molecular Formula: C106H104B2Br2IN11O17S6
• Molecular Weight: 2304.80 g/mol
• Exact Mass: 2301.35
• IUPAC Name: 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
• SMILES: CC1(C)OB(c2ccc(CN3CCOCC3)s2)OC1(C)C.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3O)c3cc(-c4ccc(CN5CCOCC5)s4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3O)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.OB(O)c1ccccc1O.Oc1ccccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12
• InChI: InChI=1S/C29H27N3O4S2.C22H21N3O2S.C20H15BrN2O3S.C15H24BNO3S.C14H10BrIN2O2S.C6H7BO3/c1-20-6-9-23(10-7-20)38(34,35)32-19-26(24-4-2-3-5-27(24)33)25-16-21(17-30-29(25)32)28-11-8-22(37-28)18-31-12-14-36-15-13-31;26-20-4-2-1-3-17(20)19-13-24-22-18(19)11-15(12-23-22)21-6-5-16(28-21)14-25-7-9-27-10-8-25;1-13-6-8-15(9-7-13)27(25,26)23-12-18(16-4-2-3-5-19(16)24)17-10-14(21)11-22-20(17)23;1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;8-6-4-2-1-3-5(6)7(9)10/h2-11,16-17,19,33H,12-15,18H2,1H3;1-6,11-13,26H,7-10,14H2,(H,23,24);2-12,24H,1H3;5-6H,7-11H2,1-4H3;2-8H,1H3;1-4,8-10H
• InChIKey: FGPNTWQEBDTDMG-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 361.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2304.80
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?

The IUPAC name of 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine (CID 158025987) is 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine.

What is the SMILES notation for 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?

The canonical SMILES for 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine is CC1(C)OB(c2ccc(CN3CCOCC3)s2)OC1(C)C.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3O)c3cc(-c4ccc(CN5CCOCC5)s4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3O)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.OB(O)c1ccccc1O.Oc1ccccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.

What is the InChIKey of 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?

The InChIKey is FGPNTWQEBDTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4S2.C22H21N3O2S.C20H15BrN2O3S.C15H24BNO3S.C14H10BrIN2O2S.C6H7BO3/c1-20-6-9-23(10-7-20)38(34,35)32-19-26(24-4-2-3-5-27(24)33)25-16-21(17-30-29(25)32)28-11-8-22(37-28)18-31-12-14-36-15-13-31;26-20-4-2-1-3-17(20)19-13-24-22-18(19)11-15(12-23-22)21-6-5-16(28-21)14-25-7-9-27-10-8-25;1-13-6-8-15(9-7-13)27(25,26)23-12-18(16-4-2-3-5-19(16)24)17-10-14(21)11-22-20(17)23;1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;8-6-4-2-1-3-5(6)7(9)10/h2-11,16-17,19,33H,12-15,18H2,1H3;1-6,11-13,26H,7-10,14H2,(H,23,24);2-12,24H,1H3;5-6H,7-11H2,1-4H3;2-8H,1H3;1-4,8-10H.

What are the key properties of 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?

5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine has a molecular weight of 2304.80 g/mol, XLogP of 19.63, 19 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;2-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;(2-hydroxyphenyl)boronic acid;2-[1-(4-methylphenyl)sulfonyl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridin-3-yl]phenol;2-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 158025987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).