5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

C89H76Br5IN20O9S3Si2+2 — CID 159045034

About 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (PubChem CID 159045034) has the molecular formula C89H76Br5IN20O9S3Si2+2 and a molecular weight of 2248.51 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
• PubChem CID: 159045034
• Molecular Formula: C89H76Br5IN20O9S3Si2+2
• Molecular Weight: 2248.51 g/mol
• Exact Mass: 2241.98
• IUPAC Name: 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
• SMILES: Brc1cnc2[nH]cc(-c3ccoc3)c2c1.Brc1cnc2[nH]cc(-c3cnco3)c2c1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cn1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnco1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1C1=CN=[N+](S(=O)(=O)c2ccccc2)C1.O=S(=O)(c1ccccc1)[N+]1=NC=C(c2c[nH]c3ncc(Br)cc23)C1
• InChI: InChI=1S/C20H17IN4O2S.C19H19BrN4O2SSi.C16H11BrN4O2S.C13H14BrN3OSi.C11H7BrN2O.C10H6BrN3O/c1-24(2)19-9-8-14(11-22-19)15-10-17-18(21)13-25(20(17)23-12-15)28(26,27)16-6-4-3-5-7-16;1-28(2,3)19-17(16-9-14(20)11-21-18(16)23-19)13-10-22-24(12-13)27(25,26)15-7-5-4-6-8-15;17-12-6-14-15(9-19-16(14)18-8-12)11-7-20-21(10-11)24(22,23)13-4-2-1-3-5-13;1-19(2,3)13-11(10-6-15-7-18-10)9-4-8(14)5-16-12(9)17-13;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h3-13H,1-2H3;4-11H,12H2,1-3H3;1-9H,10H2;4-7H,1-3H3,(H,16,17);1-6H,(H,13,14);1-5H,(H,13,14)/p+2
• InChIKey: KCXALEWVYBECEV-UHFFFAOYSA-P
• XLogP: 21.71
• TPSA: 375.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.51
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?

The IUPAC name of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (CID 159045034) is 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

What is the SMILES notation for 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?

The canonical SMILES for 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is Brc1cnc2[nH]cc(-c3ccoc3)c2c1.Brc1cnc2[nH]cc(-c3cnco3)c2c1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cn1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnco1.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1C1=CN=[N+](S(=O)(=O)c2ccccc2)C1.O=S(=O)(c1ccccc1)[N+]1=NC=C(c2c[nH]c3ncc(Br)cc23)C1.

What is the InChIKey of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?

The InChIKey is KCXALEWVYBECEV-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H17IN4O2S.C19H19BrN4O2SSi.C16H11BrN4O2S.C13H14BrN3OSi.C11H7BrN2O.C10H6BrN3O/c1-24(2)19-9-8-14(11-22-19)15-10-17-18(21)13-25(20(17)23-12-15)28(26,27)16-6-4-3-5-7-16;1-28(2,3)19-17(16-9-14(20)11-21-18(16)23-19)13-10-22-24(12-13)27(25,26)15-7-5-4-6-8-15;17-12-6-14-15(9-19-16(14)18-8-12)11-7-20-21(10-11)24(22,23)13-4-2-1-3-5-13;1-19(2,3)13-11(10-6-15-7-18-10)9-4-8(14)5-16-12(9)17-13;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h3-13H,1-2H3;4-11H,12H2,1-3H3;1-9H,10H2;4-7H,1-3H3,(H,16,17);1-6H,(H,13,14);1-5H,(H,13,14)/p+2.

What are the key properties of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?

5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole has a molecular weight of 2248.51 g/mol, XLogP of 21.71, 15 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine;[3-[2-(benzenesulfonyl)-3H-pyrazol-2-ium-4-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is sourced from PubChem (CID 159045034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).