potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium

C101H100B2Br2F6IK3N21O15P — CID 158515932

IUPACpotassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESBrc1cncc(-c2cnn(CCOC3CCCCO3)c2)c1.Brc1cncc(I)c1.C.CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCOC5CCCCO5)c4)c3)c3nccnc3n2)c1.O=[P+]([O-])O[O-].OB(O)c1cc(-c2cc(F)ccc2F)nc2nccnc12.OCCn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4nccnc34)c2)cn1.[K+].[K][K]
InChIInChI=1S/C28H24F2N6O2.C23H16F2N6O.C16H27BN2O4.C15H18BrN3O2.C13H8BF2N3O2.C5H3BrIN.CH4.3K.HO4P/c29-21-4-5-24(30)23(12-21)25-13-22(27-28(35-25)33-7-6-32-27)19-11-18(14-31-15-19)20-16-34-36(17-20)8-10-38-26-3-1-2-9-37-26;24-17-1-2-20(25)19(8-17)21-9-18(22-23(30-21)28-4-3-27-22)15-7-14(10-26-11-15)16-12-29-31(13-16)5-6-32;1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14;16-14-7-12(8-17-10-14)13-9-18-19(11-13)4-6-21-15-3-1-2-5-20-15;15-7-1-2-10(16)8(5-7)11-6-9(14(20)21)12-13(19-11)18-4-3-17-12;6-4-1-5(7)3-8-2-4;;;;;1-4-5(2)3/h4-7,11-17,26H,1-3,8-10H2;1-4,7-13,32H,5-6H2;11-12,14H,5-10H2,1-4H3;7-11,15H,1-6H2;1-6,20-21H;1-3H;1H4;;;;1H/q;;;;;;;;;+1;/p-1
InChIKeyHLPWHTYCWDXAIR-UHFFFAOYSA-M
MW2418.63 g/mol
LogP12.58
Rot. Bonds25

About potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 158515932) has the molecular formula C101H100B2Br2F6IK3N21O15P and a molecular weight of 2418.63 g/mol. Its IUPAC name is potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID158515932
Molecular FormulaC101H100B2Br2F6IK3N21O15P
Molecular Weight2418.63 g/mol
Exact Mass2415.39
IUPAC Namepotassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESBrc1cncc(-c2cnn(CCOC3CCCCO3)c2)c1.Brc1cncc(I)c1.C.CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCOC5CCCCO5)c4)c3)c3nccnc3n2)c1.O=[P+]([O-])O[O-].OB(O)c1cc(-c2cc(F)ccc2F)nc2nccnc12.OCCn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4nccnc34)c2)cn1.[K+].[K][K]
InChIInChI=1S/C28H24F2N6O2.C23H16F2N6O.C16H27BN2O4.C15H18BrN3O2.C13H8BF2N3O2.C5H3BrIN.CH4.3K.HO4P/c29-21-4-5-24(30)23(12-21)25-13-22(27-28(35-25)33-7-6-32-27)19-11-18(14-31-15-19)20-16-34-36(17-20)8-10-38-26-3-1-2-9-37-26;24-17-1-2-20(25)19(8-17)21-9-18(22-23(30-21)28-4-3-27-22)15-7-14(10-26-11-15)16-12-29-31(13-16)5-6-32;1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14;16-14-7-12(8-17-10-14)13-9-18-19(11-13)4-6-21-15-3-1-2-5-20-15;15-7-1-2-10(16)8(5-7)11-6-9(14(20)21)12-13(19-11)18-4-3-17-12;6-4-1-5(7)3-8-2-4;;;;;1-4-5(2)3/h4-7,11-17,26H,1-3,8-10H2;1-4,7-13,32H,5-6H2;11-12,14H,5-10H2,1-4H3;7-11,15H,1-6H2;1-6,20-21H;1-3H;1H4;;;;1H/q;;;;;;;;;+1;/p-1
InChIKeyHLPWHTYCWDXAIR-UHFFFAOYSA-M
XLogP12.58
TPSA445.80 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.63
LogP ≤ 512.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

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-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 158515932) is potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium is Brc1cncc(-c2cnn(CCOC3CCCCO3)c2)c1.Brc1cncc(I)c1.C.CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCOC5CCCCO5)c4)c3)c3nccnc3n2)c1.O=[P+]([O-])O[O-].OB(O)c1cc(-c2cc(F)ccc2F)nc2nccnc12.OCCn1cc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4nccnc34)c2)cn1.[K+].[K][K].
What is the InChIKey of potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is HLPWHTYCWDXAIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H24F2N6O2.C23H16F2N6O.C16H27BN2O4.C15H18BrN3O2.C13H8BF2N3O2.C5H3BrIN.CH4.3K.HO4P/c29-21-4-5-24(30)23(12-21)25-13-22(27-28(35-25)33-7-6-32-27)19-11-18(14-31-15-19)20-16-34-36(17-20)8-10-38-26-3-1-2-9-37-26;24-17-1-2-20(25)19(8-17)21-9-18(22-23(30-21)28-4-3-27-22)15-7-14(10-26-11-15)16-12-29-31(13-16)5-6-32;1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14;16-14-7-12(8-17-10-14)13-9-18-19(11-13)4-6-21-15-3-1-2-5-20-15;15-7-1-2-10(16)8(5-7)11-6-9(14(20)21)12-13(19-11)18-4-3-17-12;6-4-1-5(7)3-8-2-4;;;;;1-4-5(2)3/h4-7,11-17,26H,1-3,8-10H2;1-4,7-13,32H,5-6H2;11-12,14H,5-10H2,1-4H3;7-11,15H,1-6H2;1-6,20-21H;1-3H;1H4;;;;1H/q;;;;;;;;;+1;/p-1.
What are the key properties of potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 2418.63 g/mol, XLogP of 12.58, 25 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-bromo-5-iodopyridine;3-bromo-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyridine;6-(2,5-difluorophenyl)-8-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;2-[4-[5-[6-(2,5-difluorophenyl)pyrido[2,3-b]pyrazin-8-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 158515932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).