potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium

C133H143B2Br2Cl4F4IK3N24O14P — CID 159889555

About potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 159889555) has the molecular formula C133H143B2Br2Cl4F4IK3N24O14P and a molecular weight of 2976.17 g/mol. Its IUPAC name is potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

• Compound Name: potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium
• PubChem CID: 159889555
• Molecular Formula: C133H143B2Br2Cl4F4IK3N24O14P
• Molecular Weight: 2976.17 g/mol
• Exact Mass: 2970.62
• IUPAC Name: potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium
• SMILES: Brc1cncc(I)c1.C=C.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(Br)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)ccn1.O=[P+]([O-])O[O-].OB(O)c1ccnc(-c2cc(Cl)ccc2F)c1.[K+].[K][K]
• InChI: InChI=1S/C29H29ClFN5O2.C25H23ClFN5.C24H21ClFN5.C19H32BN3O4.C18H23BrN4O2.C11H8BClFNO2.C5H3BrIN.C2H4.3K.HO4P/c1-29(2,3)38-28(37)35-10-7-24(8-11-35)36-18-22(17-34-36)21-12-20(15-32-16-21)19-6-9-33-27(13-19)25-14-23(30)4-5-26(25)31;1-31-8-5-22(6-9-31)32-16-20(15-30-32)19-10-18(13-28-14-19)17-4-7-29-25(11-17)23-12-21(26)2-3-24(23)27;25-20-1-2-23(26)22(11-20)24-10-16(3-8-29-24)17-9-18(13-28-12-17)19-14-30-31(15-19)21-4-6-27-7-5-21;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;1-18(2,3)25-17(24)22-6-4-16(5-7-22)23-12-14(10-21-23)13-8-15(19)11-20-9-13;13-8-1-2-10(14)9(6-8)11-5-7(12(16)17)3-4-15-11;6-4-1-5(7)3-8-2-4;1-2;;;;1-4-5(2)3/h4-6,9,12-18,24H,7-8,10-11H2,1-3H3;2-4,7,10-16,22H,5-6,8-9H2,1H3;1-3,8-15,21,27H,4-7H2;12-13,15H,8-11H2,1-7H3;8-12,16H,4-7H2,1-3H3;1-6,16-17H;1-3H;1-2H2;;;;1H/q;;;;;;;;;;+1;/p-1
• InChIKey: NUONBHZQBCKEOF-UHFFFAOYSA-M
• XLogP: 24.21
• TPSA: 440.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2976.17
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The IUPAC name of potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 159889555) is potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium.

What is the SMILES notation for potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The canonical SMILES for potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium is Brc1cncc(I)c1.C=C.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(Br)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)ccn1.O=[P+]([O-])O[O-].OB(O)c1ccnc(-c2cc(Cl)ccc2F)c1.[K+].[K][K].

What is the InChIKey of potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The InChIKey is NUONBHZQBCKEOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H29ClFN5O2.C25H23ClFN5.C24H21ClFN5.C19H32BN3O4.C18H23BrN4O2.C11H8BClFNO2.C5H3BrIN.C2H4.3K.HO4P/c1-29(2,3)38-28(37)35-10-7-24(8-11-35)36-18-22(17-34-36)21-12-20(15-32-16-21)19-6-9-33-27(13-19)25-14-23(30)4-5-26(25)31;1-31-8-5-22(6-9-31)32-16-20(15-30-32)19-10-18(13-28-14-19)17-4-7-29-25(11-17)23-12-21(26)2-3-24(23)27;25-20-1-2-23(26)22(11-20)24-10-16(3-8-29-24)17-9-18(13-28-12-17)19-14-30-31(15-19)21-4-6-27-7-5-21;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;1-18(2,3)25-17(24)22-6-4-16(5-7-22)23-12-14(10-21-23)13-8-15(19)11-20-9-13;13-8-1-2-10(14)9(6-8)11-5-7(12(16)17)3-4-15-11;6-4-1-5(7)3-8-2-4;1-2;;;;1-4-5(2)3/h4-6,9,12-18,24H,7-8,10-11H2,1-3H3;2-4,7,10-16,22H,5-6,8-9H2,1H3;1-3,8-15,21,27H,4-7H2;12-13,15H,8-11H2,1-7H3;8-12,16H,4-7H2,1-3H3;1-6,16-17H;1-3H;1-2H2;;;;1H/q;;;;;;;;;;+1;/p-1.

What are the key properties of potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium?

potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 2976.17 g/mol, XLogP of 24.21, 19 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]boronic acid;ethene;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 159889555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).