disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)

C164H172B2Br2Cl2F8N20Na2O17P2Pd — CID 158675463

About disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)

disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane) (PubChem CID 158675463) has the molecular formula C164H172B2Br2Cl2F8N20Na2O17P2Pd and a molecular weight of 3313.97 g/mol. Its IUPAC name is disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane).

Molecular Properties

• Compound Name: disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)
• PubChem CID: 158675463
• Molecular Formula: C164H172B2Br2Cl2F8N20Na2O17P2Pd
• Molecular Weight: 3313.97 g/mol
• Exact Mass: 3308.93
• IUPAC Name: disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(Cn4nc(-c5cc(F)cc(F)c5)ccc4=O)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)cn2)CC1.CC1(C)OB(c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)OC1(C)C.Cl[Pd]Cl.O=CO[O-].O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2cnn(C3CCNCC3)c2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(Br)c1.[H-].[Na+].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H31F2N5O3.C25H23F2N5O.C23H23BF2N2O3.C19H32BN3O4.2C18H15P.C17H11BrF2N2O.C13H20BrN3O2.CH2O3.2ClH.2Na.Pd.H/c1-30(2,3)40-29(39)35-11-9-26(10-12-35)36-19-23(17-33-36)21-6-4-5-20(13-21)18-37-28(38)8-7-27(34-37)22-14-24(31)16-25(32)15-22;26-21-11-19(12-22(27)13-21)24-4-5-25(33)32(30-24)15-17-2-1-3-18(10-17)20-14-29-31(16-20)23-6-8-28-9-7-23;1-22(2)23(3,4)31-24(30-22)17-7-5-6-15(10-17)14-28-21(29)9-8-20(27-28)16-11-18(25)13-19(26)12-16;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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-3-1-2-11(6-13)10-22-17(23)5-4-16(21-22)12-7-14(19)9-15(20)8-12;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;2-1-4-3;;;;;;/h4-8,13-17,19,26H,9-12,18H2,1-3H3;1-5,10-14,16,23,28H,6-9,15H2;5-13H,14H2,1-4H3;12-13,15H,8-11H2,1-7H3;2*1-15H;1-9H,10H2;8-9,11H,4-7H2,1-3H3;1,3H;2*1H;;;;/q;;;;;;;;;;;2*+1;+2;-1/p-3
• InChIKey: KBQCSSIZFAXCSG-UHFFFAOYSA-K
• XLogP: 24.03
• TPSA: 397.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3313.97
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)?

The IUPAC name of disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane) (CID 158675463) is disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane).

What is the SMILES notation for disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)?

The canonical SMILES for disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane) is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(Cn4nc(-c5cc(F)cc(F)c5)ccc4=O)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)cn2)CC1.CC1(C)OB(c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)OC1(C)C.Cl[Pd]Cl.O=CO[O-].O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2cnn(C3CCNCC3)c2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(Br)c1.[H-].[Na+].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)?

The InChIKey is KBQCSSIZFAXCSG-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H31F2N5O3.C25H23F2N5O.C23H23BF2N2O3.C19H32BN3O4.2C18H15P.C17H11BrF2N2O.C13H20BrN3O2.CH2O3.2ClH.2Na.Pd.H/c1-30(2,3)40-29(39)35-11-9-26(10-12-35)36-19-23(17-33-36)21-6-4-5-20(13-21)18-37-28(38)8-7-27(34-37)22-14-24(31)16-25(32)15-22;26-21-11-19(12-22(27)13-21)24-4-5-25(33)32(30-24)15-17-2-1-3-18(10-17)20-14-29-31(16-20)23-6-8-28-9-7-23;1-22(2)23(3,4)31-24(30-22)17-7-5-6-15(10-17)14-28-21(29)9-8-20(27-28)16-11-18(25)13-19(26)12-16;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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-3-1-2-11(6-13)10-22-17(23)5-4-16(21-22)12-7-14(19)9-15(20)8-12;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;2-1-4-3;;;;;;/h4-8,13-17,19,26H,9-12,18H2,1-3H3;1-5,10-14,16,23,28H,6-9,15H2;5-13H,14H2,1-4H3;12-13,15H,8-11H2,1-7H3;2*1-15H;1-9H,10H2;8-9,11H,4-7H2,1-3H3;1,3H;2*1H;;;;/q;;;;;;;;;;;2*+1;+2;-1/p-3.

What are the key properties of disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane)?

disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane) has a molecular weight of 3313.97 g/mol, XLogP of 24.03, 27 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[(3-bromophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]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;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridazin-3-one;hydride;oxido formate;bis(triphenylphosphane) is sourced from PubChem (CID 158675463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).