potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium

C90H114B2Br3F2IK3N20O11P — CID 158245597

IUPACpotassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESBrc1cncc(-c2cn[nH]c2)c1.Brc1cncc(I)c1.C.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN1CCN(CCCO)CC1.CN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.CN1CCN(CCCn2cc(-c3cncc(Br)c3)cn2)CC1.O=[P+]([O-])O[O-].OB(O)c1ccnc(-c2ccccc2F)c1.[K+].[K][K]
InChIInChI=1S/C27H29FN6.C16H22BrN5.C14H23BN2O4.C11H9BFNO2.C8H6BrN3.C8H18N2O.C5H3BrIN.CH4.3K.HO4P/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28;1-20-5-7-21(8-6-20)3-2-4-22-13-15(11-19-22)14-9-16(17)12-18-10-14;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;13-10-4-2-1-3-9(10)11-7-8(12(15)16)5-6-14-11;9-8-1-6(2-10-5-8)7-3-11-12-4-7;1-9-4-6-10(7-5-9)3-2-8-11;6-4-1-5(7)3-8-2-4;;;;;1-4-5(2)3/h2-3,5-8,15-20H,4,9-14H2,1H3;9-13H,2-8H2,1H3;8-9H,1-7H3;1-7,15-16H;1-5H,(H,11,12);11H,2-8H2,1H3;1-3H;1H4;;;;1H/q;;;;;;;;;;+1;/p-1
InChIKeyGGBREYWHNLBWLL-UHFFFAOYSA-M
MW2226.53 g/mol
LogP8.80
Rot. Bonds20

About potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 158245597) has the molecular formula C90H114B2Br3F2IK3N20O11P and a molecular weight of 2226.53 g/mol. Its IUPAC name is potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID158245597
Molecular FormulaC90H114B2Br3F2IK3N20O11P
Molecular Weight2226.53 g/mol
Exact Mass2222.44
IUPAC Namepotassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESBrc1cncc(-c2cn[nH]c2)c1.Brc1cncc(I)c1.C.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN1CCN(CCCO)CC1.CN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.CN1CCN(CCCn2cc(-c3cncc(Br)c3)cn2)CC1.O=[P+]([O-])O[O-].OB(O)c1ccnc(-c2ccccc2F)c1.[K+].[K][K]
InChIInChI=1S/C27H29FN6.C16H22BrN5.C14H23BN2O4.C11H9BFNO2.C8H6BrN3.C8H18N2O.C5H3BrIN.CH4.3K.HO4P/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28;1-20-5-7-21(8-6-20)3-2-4-22-13-15(11-19-22)14-9-16(17)12-18-10-14;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;13-10-4-2-1-3-9(10)11-7-8(12(15)16)5-6-14-11;9-8-1-6(2-10-5-8)7-3-11-12-4-7;1-9-4-6-10(7-5-9)3-2-8-11;6-4-1-5(7)3-8-2-4;;;;;1-4-5(2)3/h2-3,5-8,15-20H,4,9-14H2,1H3;9-13H,2-8H2,1H3;8-9H,1-7H3;1-7,15-16H;1-5H,(H,11,12);11H,2-8H2,1H3;1-3H;1H4;;;;1H/q;;;;;;;;;;+1;/p-1
InChIKeyGGBREYWHNLBWLL-UHFFFAOYSA-M
XLogP8.80
TPSA356.79 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.53
LogP ≤ 58.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 159250039
potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
CID 159280778
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

Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 158245597) is potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium is Brc1cncc(-c2cn[nH]c2)c1.Brc1cncc(I)c1.C.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN1CCN(CCCO)CC1.CN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.CN1CCN(CCCn2cc(-c3cncc(Br)c3)cn2)CC1.O=[P+]([O-])O[O-].OB(O)c1ccnc(-c2ccccc2F)c1.[K+].[K][K].
What is the InChIKey of potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is GGBREYWHNLBWLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H29FN6.C16H22BrN5.C14H23BN2O4.C11H9BFNO2.C8H6BrN3.C8H18N2O.C5H3BrIN.CH4.3K.HO4P/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28;1-20-5-7-21(8-6-20)3-2-4-22-13-15(11-19-22)14-9-16(17)12-18-10-14;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;13-10-4-2-1-3-9(10)11-7-8(12(15)16)5-6-14-11;9-8-1-6(2-10-5-8)7-3-11-12-4-7;1-9-4-6-10(7-5-9)3-2-8-11;6-4-1-5(7)3-8-2-4;;;;;1-4-5(2)3/h2-3,5-8,15-20H,4,9-14H2,1H3;9-13H,2-8H2,1H3;8-9H,1-7H3;1-7,15-16H;1-5H,(H,11,12);11H,2-8H2,1H3;1-3H;1H4;;;;1H/q;;;;;;;;;;+1;/p-1.
What are the key properties of potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 2226.53 g/mol, XLogP of 8.80, 20 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-bromo-5-iodopyridine;3-bromo-5-(1H-pyrazol-4-yl)pyridine;1-[3-[4-(5-bromo-3-pyridinyl)pyrazol-1-yl]propyl]-4-methylpiperazine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;[2-(2-fluorophenyl)-4-pyridinyl]boronic acid;1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine;methane;3-(4-methylpiperazin-1-yl)propan-1-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 158245597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).