2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

C91H81B2BrCl5F6N17O15S3 — CID 157193278

About 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 157193278) has the molecular formula C91H81B2BrCl5F6N17O15S3 and a molecular weight of 2141.73 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
• PubChem CID: 157193278
• Molecular Formula: C91H81B2BrCl5F6N17O15S3
• Molecular Weight: 2141.73 g/mol
• Exact Mass: 2137.30
• IUPAC Name: 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
• SMILES: Brc1cnn(-c2ncccn2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnn(-c5ncccn5)c4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.O=C(Cl)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C30H28BCl2F2N3O6S.C24H19F2N7O3S.C23H26BF2N3O5S.C7H5BrN4.C7H3Cl3O/c1-6-12-45(41,42)37-22-11-10-21(34)24(25(22)35)26(39)18-15-38(28(40)23-19(32)8-7-9-20(23)33)27-17(18)13-16(14-36-27)31-43-29(2,3)30(4,5)44-31;1-2-8-37(35,36)32-19-5-4-18(25)20(21(19)26)22(34)17-12-30-23-16(17)9-14(10-29-23)15-11-31-33(13-15)24-27-6-3-7-28-24;1-6-9-35(31,32)29-17-8-7-16(25)18(19(17)26)20(30)15-12-28-21-14(15)10-13(11-27-21)24-33-22(2,3)23(4,5)34-24;8-6-4-11-12(5-6)7-9-2-1-3-10-7;8-4-2-1-3-5(9)6(4)7(10)11/h7-11,13-15,37H,6,12H2,1-5H3;3-7,9-13,32H,2,8H2,1H3,(H,29,30);7-8,10-12,29H,6,9H2,1-5H3,(H,27,28);1-5H;1-3H
• InChIKey: APYHTGAQVPVEMP-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 423.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.73
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

The IUPAC name of 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (CID 157193278) is 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

The canonical SMILES for 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is Brc1cnn(-c2ncccn2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnn(-c5ncccn5)c4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)c1F.O=C(Cl)c1c(Cl)cccc1Cl.

What is the InChIKey of 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

The InChIKey is APYHTGAQVPVEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BCl2F2N3O6S.C24H19F2N7O3S.C23H26BF2N3O5S.C7H5BrN4.C7H3Cl3O/c1-6-12-45(41,42)37-22-11-10-21(34)24(25(22)35)26(39)18-15-38(28(40)23-19(32)8-7-9-20(23)33)27-17(18)13-16(14-36-27)31-43-29(2,3)30(4,5)44-31;1-2-8-37(35,36)32-19-5-4-18(25)20(21(19)26)22(34)17-12-30-23-16(17)9-14(10-29-23)15-11-31-33(13-15)24-27-6-3-7-28-24;1-6-9-35(31,32)29-17-8-7-16(25)18(19(17)26)20(30)15-12-28-21-14(15)10-13(11-27-21)24-33-22(2,3)23(4,5)34-24;8-6-4-11-12(5-6)7-9-2-1-3-10-7;8-4-2-1-3-5(9)6(4)7(10)11/h7-11,13-15,37H,6,12H2,1-5H3;3-7,9-13,32H,2,8H2,1H3,(H,29,30);7-8,10-12,29H,6,9H2,1-5H3,(H,27,28);1-5H;1-3H.

What are the key properties of 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 2141.73 g/mol, XLogP of 18.18, 25 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromopyrazol-1-yl)pyrimidine;2,6-dichlorobenzoyl chloride;N-[3-[1-(2,6-dichlorobenzoyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 157193278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).