potassium;3-bromo-5-iodopyridine;tert-butyl 4-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[5-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium

C115H127B2Br2F3IK3N25O15P — CID 158044367

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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 158044367) has the molecular formula C115H127B2Br2F3IK3N25O15P and a molecular weight of 2613.04 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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium
• PubChem CID: 158044367
• Molecular Formula: C115H127B2Br2F3IK3N25O15P
• Molecular Weight: 2613.04 g/mol
• Exact Mass: 2609.61
• 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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium
• SMILES: Brc1cncc(I)c1.C.C=O.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5nccnc45)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(-c4cc(-c5ccccc5F)nc5nccnc45)c3)cn2)CC1.O=[P+]([O-])O[O-].OB(O)c1cc(-c2ccccc2F)nc2nccnc12.[K+].[K][K]
• InChI: InChI=1S/C31H30FN7O2.C27H24FN7.C19H32BN3O4.C18H23BrN4O2.C13H9BFN3O2.C5H3BrIN.CH2O.CH4.3K.HO4P/c1-31(2,3)41-30(40)38-12-8-23(9-13-38)39-19-22(18-36-39)20-14-21(17-33-16-20)25-15-27(24-6-4-5-7-26(24)32)37-29-28(25)34-10-11-35-29;1-34-10-6-21(7-11-34)35-17-20(16-32-35)18-12-19(15-29-14-18)23-13-25(22-4-2-3-5-24(22)28)33-27-26(23)30-8-9-31-27;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;15-10-4-2-1-3-8(10)11-7-9(14(19)20)12-13(18-11)17-6-5-16-12;6-4-1-5(7)3-8-2-4;1-2;;;;;1-4-5(2)3/h4-7,10-11,14-19,23H,8-9,12-13H2,1-3H3;2-5,8-9,12-17,21H,6-7,10-11H2,1H3;12-13,15H,8-11H2,1-7H3;8-12,16H,4-7H2,1-3H3;1-7,19-20H;1-3H;1H2;1H4;;;;1H/q;;;;;;;;;;+1;/p-1
• InChIKey: FISNFGSMXNSWQE-UHFFFAOYSA-M
• XLogP: 16.33
• TPSA: 479.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2613.04
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 158044367) 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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium is Brc1cncc(I)c1.C.C=O.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5nccnc45)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(-c4cc(-c5ccccc5F)nc5nccnc45)c3)cn2)CC1.O=[P+]([O-])O[O-].OB(O)c1cc(-c2ccccc2F)nc2nccnc12.[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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium?

The InChIKey is FISNFGSMXNSWQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H30FN7O2.C27H24FN7.C19H32BN3O4.C18H23BrN4O2.C13H9BFN3O2.C5H3BrIN.CH2O.CH4.3K.HO4P/c1-31(2,3)41-30(40)38-12-8-23(9-13-38)39-19-22(18-36-39)20-14-21(17-33-16-20)25-15-27(24-6-4-5-7-26(24)32)37-29-28(25)34-10-11-35-29;1-34-10-6-21(7-11-34)35-17-20(16-32-35)18-12-19(15-29-14-18)23-13-25(22-4-2-3-5-24(22)28)33-27-26(23)30-8-9-31-27;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;15-10-4-2-1-3-8(10)11-7-9(14(19)20)12-13(18-11)17-6-5-16-12;6-4-1-5(7)3-8-2-4;1-2;;;;;1-4-5(2)3/h4-7,10-11,14-19,23H,8-9,12-13H2,1-3H3;2-5,8-9,12-17,21H,6-7,10-11H2,1H3;12-13,15H,8-11H2,1-7H3;8-12,16H,4-7H2,1-3H3;1-7,19-20H;1-3H;1H2;1H4;;;;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 2613.04 g/mol, XLogP of 16.33, 15 rotatable bonds, 2 hydrogen bond donors, and 37 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-[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-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;6-(2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;formaldehyde;methane;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 158044367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).