potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium

C67H84BBr2K3N17O11P — CID 158838390

About potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium

potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium (PubChem CID 158838390) has the molecular formula C67H84BBr2K3N17O11P and a molecular weight of 1622.40 g/mol. Its IUPAC name is potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium.

Molecular Properties

• Compound Name: potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium
• PubChem CID: 158838390
• Molecular Formula: C67H84BBr2K3N17O11P
• Molecular Weight: 1622.40 g/mol
• Exact Mass: 1619.36
• IUPAC Name: potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium
• SMILES: CC.CC.CC1(C)OB(c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)OC1(C)C.N#CCC(=O)N1CCC[C@@H](Nc2c(-c3cccc(CO)n3)cnc3[nH]ccc23)C1.N#CCC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.O=[P+]([O-])O[O-].OCc1cccc(Br)n1.[K+].[K][K]
• InChI: InChI=1S/C21H28BN5O3.C21H22N6O2.C15H16BrN5O.C6H6BrNO.2C2H6.3K.HO4P/c1-20(2)21(3,4)30-22(29-20)16-12-25-19-15(8-10-24-19)18(16)26-14-6-5-11-27(13-14)17(28)7-9-23;22-8-6-19(29)27-10-2-4-14(12-27)26-20-16-7-9-23-21(16)24-11-17(20)18-5-1-3-15(13-28)25-18;16-12-8-19-15-11(4-6-18-15)14(12)20-10-2-1-7-21(9-10)13(22)3-5-17;7-6-3-1-2-5(4-9)8-6;2*1-2;;;;1-4-5(2)3/h8,10,12,14H,5-7,11,13H2,1-4H3,(H2,24,25,26);1,3,5,7,9,11,14,28H,2,4,6,10,12-13H2,(H2,23,24,26);4,6,8,10H,1-3,7,9H2,(H2,18,19,20);1-3,9H,4H2;2*1-2H3;;;;1H/q;;;;;;;;+1;/p-1/t2*14-;10-;;;;;;;/m111......./s1
• InChIKey: IXXSGORRUPPXOU-FILGCJMKSA-M
• XLogP: 5.18
• TPSA: 411.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.40
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium?

The IUPAC name of potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium (CID 158838390) is potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium.

What is the SMILES notation for potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium?

The canonical SMILES for potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium is CC.CC.CC1(C)OB(c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)OC1(C)C.N#CCC(=O)N1CCC[C@@H](Nc2c(-c3cccc(CO)n3)cnc3[nH]ccc23)C1.N#CCC(=O)N1CCC[C@@H](Nc2c(Br)cnc3[nH]ccc23)C1.O=[P+]([O-])O[O-].OCc1cccc(Br)n1.[K+].[K][K].

What is the InChIKey of potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium?

The InChIKey is IXXSGORRUPPXOU-FILGCJMKSA-M. The full InChI is InChI=1S/C21H28BN5O3.C21H22N6O2.C15H16BrN5O.C6H6BrNO.2C2H6.3K.HO4P/c1-20(2)21(3,4)30-22(29-20)16-12-25-19-15(8-10-24-19)18(16)26-14-6-5-11-27(13-14)17(28)7-9-23;22-8-6-19(29)27-10-2-4-14(12-27)26-20-16-7-9-23-21(16)24-11-17(20)18-5-1-3-15(13-28)25-18;16-12-8-19-15-11(4-6-18-15)14(12)20-10-2-1-7-21(9-10)13(22)3-5-17;7-6-3-1-2-5(4-9)8-6;2*1-2;;;;1-4-5(2)3/h8,10,12,14H,5-7,11,13H2,1-4H3,(H2,24,25,26);1,3,5,7,9,11,14,28H,2,4,6,10,12-13H2,(H2,23,24,26);4,6,8,10H,1-3,7,9H2,(H2,18,19,20);1-3,9H,4H2;2*1-2H3;;;;1H/q;;;;;;;;+1;/p-1/t2*14-;10-;;;;;;;/m111......./s1.

What are the key properties of potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium?

potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium has a molecular weight of 1622.40 g/mol, XLogP of 5.18, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(6-bromo-2-pyridinyl)methanol;3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;ethane;3-[(3R)-3-[[5-[6-(hydroxymethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;oxido-oxidooxy-oxophosphanium;3-oxo-3-[(3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;potassiopotassium is sourced from PubChem (CID 158838390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).