dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate

C157H166B3ClF2IK4N16O18P5Pd — CID 159907910

IUPACdipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncncc4F)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(I)cc3)nc2)CC1.CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Fc1cncnc1Cl.O=[P+]([O-])O[O-].[K+].[K+].[K][K].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H33BN4O4.C23H23FN6O2.C19H21IN4O2.4C18H15P.C12H24B2O4.C4H2ClFN2.C2H4O2.4K.HO4P.Pd/c1-18(31)29-12-14-30(15-13-29)21-10-11-22(27-17-21)28-23(32)16-19-6-8-20(9-7-19)26-33-24(2,3)25(4,5)34-26;1-16(31)29-8-10-30(11-9-29)19-6-7-21(26-13-19)28-22(32)12-17-2-4-18(5-3-17)23-20(24)14-25-15-27-23;1-14(25)23-8-10-24(11-9-23)17-6-7-18(21-13-17)22-19(26)12-15-2-4-16(20)5-3-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;5-4-3(6)1-7-2-8-4;1-2(3)4;;;;;1-4-5(2)3;/h6-11,17H,12-16H2,1-5H3,(H,27,28,32);2-7,13-15H,8-12H2,1H3,(H,26,28,32);2-7,13H,8-12H2,1H3,(H,21,22,26);4*1-15H;1-8H3;1-2H;1H3,(H,3,4);;;;;1H;/q;;;;;;;;;;;;2*+1;;/p-2
InChIKeyNWUQFBJIEVEORM-UHFFFAOYSA-L
MW3215.62 g/mol
LogP14.89
Rot. Bonds28

About dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate

dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate (PubChem CID 159907910) has the molecular formula C157H166B3ClF2IK4N16O18P5Pd and a molecular weight of 3215.62 g/mol. Its IUPAC name is dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate.

Molecular Properties

Compound Namedipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate
PubChem CID159907910
Molecular FormulaC157H166B3ClF2IK4N16O18P5Pd
Molecular Weight3215.62 g/mol
Exact Mass3212.78
IUPAC Namedipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncncc4F)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(I)cc3)nc2)CC1.CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Fc1cncnc1Cl.O=[P+]([O-])O[O-].[K+].[K+].[K][K].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H33BN4O4.C23H23FN6O2.C19H21IN4O2.4C18H15P.C12H24B2O4.C4H2ClFN2.C2H4O2.4K.HO4P.Pd/c1-18(31)29-12-14-30(15-13-29)21-10-11-22(27-17-21)28-23(32)16-19-6-8-20(9-7-19)26-33-24(2,3)25(4,5)34-26;1-16(31)29-8-10-30(11-9-29)19-6-7-21(26-13-19)28-22(32)12-17-2-4-18(5-3-17)23-20(24)14-25-15-27-23;1-14(25)23-8-10-24(11-9-23)17-6-7-18(21-13-17)22-19(26)12-15-2-4-16(20)5-3-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;5-4-3(6)1-7-2-8-4;1-2(3)4;;;;;1-4-5(2)3;/h6-11,17H,12-16H2,1-5H3,(H,27,28,32);2-7,13-15H,8-12H2,1H3,(H,26,28,32);2-7,13H,8-12H2,1H3,(H,21,22,26);4*1-15H;1-8H3;1-2H;1H3,(H,3,4);;;;;1H;/q;;;;;;;;;;;;2*+1;;/p-2
InChIKeyNWUQFBJIEVEORM-UHFFFAOYSA-L
XLogP14.89
TPSA416.11 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003215.62
LogP ≤ 514.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

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 dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate?
The IUPAC name of dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate (CID 159907910) is dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate.
What is the SMILES notation for dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate?
The canonical SMILES for dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncncc4F)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(I)cc3)nc2)CC1.CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Fc1cncnc1Cl.O=[P+]([O-])O[O-].[K+].[K+].[K][K].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate?
The InChIKey is NWUQFBJIEVEORM-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H33BN4O4.C23H23FN6O2.C19H21IN4O2.4C18H15P.C12H24B2O4.C4H2ClFN2.C2H4O2.4K.HO4P.Pd/c1-18(31)29-12-14-30(15-13-29)21-10-11-22(27-17-21)28-23(32)16-19-6-8-20(9-7-19)26-33-24(2,3)25(4,5)34-26;1-16(31)29-8-10-30(11-9-29)19-6-7-21(26-13-19)28-22(32)12-17-2-4-18(5-3-17)23-20(24)14-25-15-27-23;1-14(25)23-8-10-24(11-9-23)17-6-7-18(21-13-17)22-19(26)12-15-2-4-16(20)5-3-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;5-4-3(6)1-7-2-8-4;1-2(3)4;;;;;1-4-5(2)3;/h6-11,17H,12-16H2,1-5H3,(H,27,28,32);2-7,13-15H,8-12H2,1H3,(H,26,28,32);2-7,13H,8-12H2,1H3,(H,21,22,26);4*1-15H;1-8H3;1-2H;1H3,(H,3,4);;;;;1H;/q;;;;;;;;;;;;2*+1;;/p-2.
What are the key properties of dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate?
dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate has a molecular weight of 3215.62 g/mol, XLogP of 14.89, 28 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-iodophenyl)acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4-chloro-5-fluoropyrimidine;oxido-oxidooxy-oxophosphanium;palladium;potassiopotassium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane);acetate is sourced from PubChem (CID 159907910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).