2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)

C171H166B2Br3Cl2F8N21O12P2Pd — CID 162020203

About 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)

2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane) (PubChem CID 162020203) has the molecular formula C171H166B2Br3Cl2F8N21O12P2Pd and a molecular weight of 3359.94 g/mol. Its IUPAC name is 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)
• PubChem CID: 162020203
• Molecular Formula: C171H166B2Br3Cl2F8N21O12P2Pd
• Molecular Weight: 3359.94 g/mol
• Exact Mass: 3353.85
• IUPAC Name: 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)
• SMILES: Brc1ccc(Br)nc1.C.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(-c4cccc(Cn5nc(-c6cc(F)cc(F)c6)ccc5=O)c4)nc3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC1(C)OB(c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)OC1(C)C.Cl[Pd]Cl.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc(-c3cnn(C4CCNCC4)c3)cn2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc(Br)cn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C35H34F2N6O3.C30H26F2N6O.C23H23BF2N2O3.C22H14BrF2N3O.C19H32BN3O4.2C18H15P.C5H3Br2N.CH4.2ClH.Pd/c1-35(2,3)46-34(45)41-13-11-30(12-14-41)42-22-27(20-39-42)25-7-8-31(38-19-25)24-6-4-5-23(15-24)21-43-33(44)10-9-32(40-43)26-16-28(36)18-29(37)17-26;31-25-13-23(14-26(32)15-25)29-6-7-30(39)38(36-29)18-20-2-1-3-21(12-20)28-5-4-22(16-34-28)24-17-35-37(19-24)27-8-10-33-11-9-27;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;23-17-4-5-20(26-12-17)15-3-1-2-14(8-15)13-28-22(29)7-6-21(27-28)16-9-18(24)11-19(25)10-16;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;6-4-1-2-5(7)8-3-4;;;;/h4-10,15-20,22,30H,11-14,21H2,1-3H3;1-7,12-17,19,27,33H,8-11,18H2;5-13H,14H2,1-4H3;1-12H,13H2;12-13,15H,8-11H2,1-7H3;2*1-15H;1-3H;1H4;2*1H;/q;;;;;;;;;;;+2/p-2
• InChIKey: YUQQKFSOFSOVEL-UHFFFAOYSA-L
• XLogP: 34.68
• TPSA: 352.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3359.94
LogP ≤ 5	34.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)?

The IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane) (CID 162020203) is 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane).

What is the SMILES notation for 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)?

The canonical SMILES for 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane) is Brc1ccc(Br)nc1.C.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(-c4cccc(Cn5nc(-c6cc(F)cc(F)c6)ccc5=O)c4)nc3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC1(C)OB(c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)OC1(C)C.Cl[Pd]Cl.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc(-c3cnn(C4CCNCC4)c3)cn2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ccc(Br)cn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)?

The InChIKey is YUQQKFSOFSOVEL-UHFFFAOYSA-L. The full InChI is InChI=1S/C35H34F2N6O3.C30H26F2N6O.C23H23BF2N2O3.C22H14BrF2N3O.C19H32BN3O4.2C18H15P.C5H3Br2N.CH4.2ClH.Pd/c1-35(2,3)46-34(45)41-13-11-30(12-14-41)42-22-27(20-39-42)25-7-8-31(38-19-25)24-6-4-5-23(15-24)21-43-33(44)10-9-32(40-43)26-16-28(36)18-29(37)17-26;31-25-13-23(14-26(32)15-25)29-6-7-30(39)38(36-29)18-20-2-1-3-21(12-20)28-5-4-22(16-34-28)24-17-35-37(19-24)27-8-10-33-11-9-27;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;23-17-4-5-20(26-12-17)15-3-1-2-14(8-15)13-28-22(29)7-6-21(27-28)16-9-18(24)11-19(25)10-16;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;6-4-1-2-5(7)8-3-4;;;;/h4-10,15-20,22,30H,11-14,21H2,1-3H3;1-7,12-17,19,27,33H,8-11,18H2;5-13H,14H2,1-4H3;1-12H,13H2;12-13,15H,8-11H2,1-7H3;2*1-15H;1-3H;1H4;2*1H;/q;;;;;;;;;;;+2/p-2.

What are the key properties of 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane)?

2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane) has a molecular weight of 3359.94 g/mol, XLogP of 34.68, 28 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(5-bromo-2-pyridinyl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;tert-butyl 4-[4-[6-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-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-dibromopyridine;dichloropalladium;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]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;methane;bis(triphenylphosphane) is sourced from PubChem (CID 162020203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).