5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

C108H93BBr5N25O13S4 — CID 159594227

About 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (PubChem CID 159594227) has the molecular formula C108H93BBr5N25O13S4 and a molecular weight of 2487.69 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
• PubChem CID: 159594227
• Molecular Formula: C108H93BBr5N25O13S4
• Molecular Weight: 2487.69 g/mol
• Exact Mass: 2481.23
• IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
• SMILES: Brc1cnc2[nH]cc(-c3ccn[nH]3)c2c1.Brc1cnc2[nH]ccc2c1.CC(=O)c1c[nH]c2ncc(Br)cc12.CN(C)/C=C/C(=O)c1c[nH]c2ncc(Br)cc12.Cc1ccc(S(=O)(=O)n2nccc2-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)cc1.Cc1ccc(S(=O)(=O)n2nccc2-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)cc1.NC(=O)c1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
• InChI: InChI=1S/C30H31BN4O6S2.C24H19BrN4O4S2.C16H12N6O.C12H12BrN3O.C10H7BrN4.C9H7BrN2O.C7H5BrN2/c1-20-7-11-23(12-8-20)42(36,37)34-19-26(27-15-16-33-35(27)43(38,39)24-13-9-21(2)10-14-24)25-17-22(18-32-28(25)34)31-40-29(3,4)30(5,6)41-31;1-16-3-7-19(8-4-16)34(30,31)28-15-22(21-13-18(25)14-26-24(21)28)23-11-12-27-29(23)35(32,33)20-9-5-17(2)6-10-20;17-15(23)11-3-9(5-18-6-11)10-4-12-13(14-1-2-21-22-14)8-20-16(12)19-7-10;1-16(2)4-3-11(17)10-7-15-12-9(10)5-8(13)6-14-12;11-6-3-7-8(9-1-2-14-15-9)5-13-10(7)12-4-6;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;8-6-3-5-1-2-9-7(5)10-4-6/h7-19H,1-6H3;3-15H,1-2H3;1-8H,(H2,17,23)(H,19,20)(H,21,22);3-7H,1-2H3,(H,14,15);1-5H,(H,12,13)(H,14,15);2-4H,1H3,(H,11,12);1-4H,(H,9,10)/b;;;4-3+
• InChIKey: MKPXCHZHHXIOEL-DOZWUWEDSA-N
• XLogP: 21.31
• TPSA: 520.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.69
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?

The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (CID 159594227) is 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is Brc1cnc2[nH]cc(-c3ccn[nH]3)c2c1.Brc1cnc2[nH]ccc2c1.CC(=O)c1c[nH]c2ncc(Br)cc12.CN(C)/C=C/C(=O)c1c[nH]c2ncc(Br)cc12.Cc1ccc(S(=O)(=O)n2nccc2-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)cc1.Cc1ccc(S(=O)(=O)n2nccc2-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)cc1.NC(=O)c1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1.

What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?

The InChIKey is MKPXCHZHHXIOEL-DOZWUWEDSA-N. The full InChI is InChI=1S/C30H31BN4O6S2.C24H19BrN4O4S2.C16H12N6O.C12H12BrN3O.C10H7BrN4.C9H7BrN2O.C7H5BrN2/c1-20-7-11-23(12-8-20)42(36,37)34-19-26(27-15-16-33-35(27)43(38,39)24-13-9-21(2)10-14-24)25-17-22(18-32-28(25)34)31-40-29(3,4)30(5,6)41-31;1-16-3-7-19(8-4-16)34(30,31)28-15-22(21-13-18(25)14-26-24(21)28)23-11-12-27-29(23)35(32,33)20-9-5-17(2)6-10-20;17-15(23)11-3-9(5-18-6-11)10-4-12-13(14-1-2-21-22-14)8-20-16(12)19-7-10;1-16(2)4-3-11(17)10-7-15-12-9(10)5-8(13)6-14-12;11-6-3-7-8(9-1-2-14-15-9)5-13-10(7)12-4-6;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;8-6-3-5-1-2-9-7(5)10-4-6/h7-19H,1-6H3;3-15H,1-2H3;1-8H,(H2,17,23)(H,19,20)(H,21,22);3-7H,1-2H3,(H,14,15);1-5H,(H,12,13)(H,14,15);2-4H,1H3,(H,11,12);1-4H,(H,9,10)/b;;;4-3+;;;.

What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?

5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide has a molecular weight of 2487.69 g/mol, XLogP of 21.31, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]pyrrolo[2,3-b]pyridine;5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;(E)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(4-methylphenyl)sulfonyl-3-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159594227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).