potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium

C46H45BClF4K3N12O10P+ — CID 161287109

About potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 161287109) has the molecular formula C46H45BClF4K3N12O10P+ and a molecular weight of 1196.46 g/mol. Its IUPAC name is potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

• Compound Name: potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium
• PubChem CID: 161287109
• Molecular Formula: C46H45BClF4K3N12O10P+
• Molecular Weight: 1196.46 g/mol
• Exact Mass: 1195.17
• IUPAC Name: potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium
• SMILES: CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1.O=[P+]([O-])O[O-].OB(O)c1ccnc(F)c1.[CH2+]C(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(Cl)c(F)c3)nc2)CC1.[K+].[K][K]
• InChI: InChI=1S/C23H22F2N6O2.C18H17ClFN5O2.C5H5BFNO2.3K.HO4P/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17;1-12(26)24-4-6-25(7-5-24)14-2-3-16(21-11-14)23-17(27)9-13-8-15(20)18(19)22-10-13;7-5-3-4(6(9)10)1-2-8-5;;;;1-4-5(2)3/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33);2-3,8,10-11H,1,4-7,9H2;1-3,9-10H;;;;1H/q;;;;;+1
• InChIKey: VFWBRLGZOKMLKF-UHFFFAOYSA-N
• XLogP: -1.96
• TPSA: 295.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.46
LogP ≤ 5	-1.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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'}

Frequently Asked Questions

What is the IUPAC name of potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The IUPAC name of potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 161287109) is potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium.

What is the SMILES notation for potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The canonical SMILES for potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(F)c3)nc2)CC1.O=[P+]([O-])O[O-].OB(O)c1ccnc(F)c1.[CH2+]C(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(Cl)c(F)c3)nc2)CC1.[K+].[K][K].

What is the InChIKey of potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The InChIKey is VFWBRLGZOKMLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2.C18H17ClFN5O2.C5H5BFNO2.3K.HO4P/c1-15(32)30-6-8-31(9-7-30)18-2-3-21(27-14-18)29-22(33)11-16-10-19(24)23(28-13-16)17-4-5-26-20(25)12-17;1-12(26)24-4-6-25(7-5-24)14-2-3-16(21-11-14)23-17(27)9-13-8-15(20)18(19)22-10-13;7-5-3-4(6(9)10)1-2-8-5;;;;1-4-5(2)3/h2-5,10,12-14H,6-9,11H2,1H3,(H,27,29,33);2-3,8,10-11H,1,4-7,9H2;1-3,9-10H;;;;1H/q;;;;;+1;.

What are the key properties of potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?

potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 1196.46 g/mol, XLogP of -1.96, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(6-chloro-5-fluoro-3-pyridinyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]acetamide;(2-fluoro-4-pyridinyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 161287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).