sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C159H146B3Br3ClF4N18NaO8P4Pd — CID 158371065

About sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 158371065) has the molecular formula C159H146B3Br3ClF4N18NaO8P4Pd and a molecular weight of 3074.94 g/mol. Its IUPAC name is sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
• PubChem CID: 158371065
• Molecular Formula: C159H146B3Br3ClF4N18NaO8P4Pd
• Molecular Weight: 3074.94 g/mol
• Exact Mass: 3069.70
• IUPAC Name: sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
• SMILES: Brc1ccc(-n2cccn2)nc1.Brc1ccc(Br)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-n3cccn3)nc2)OC1(C)C.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[2H]CF.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cn[nH]c1
• InChI: InChI=1S/C26H18N6O.C18H9ClF3N3O.4C18H15P.C14H18BN3O2.C12H24B2O4.C8H6BrN3.C5H3Br2N.C3H4N2.CH3F.Na.Pd.H/c1-17-4-2-5-20(14-17)32-24(33)11-7-19-16-27-22-9-8-21(30-25(22)26(19)32)18-6-10-23(28-15-18)31-13-3-12-29-31;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)14(3,4)20-15(19-13)11-6-7-12(16-10-11)18-9-5-8-17-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-7-2-3-8(10-6-7)12-5-1-4-11-12;6-4-1-2-5(7)8-3-4;1-2-4-5-3-1;1-2;;;/h2-16H,1H3;1-9H;4*1-15H;5-10H,1-4H3;1-8H3;1-6H;1-3H;1-3H,(H,4,5);1H3;;;/q;;;;;;;;;;;;+1;;-1/i;;;;;;;;;;;1D
• InChIKey: YQDKFMLESZGTFY-FAHBZGCNSA-N
• XLogP: 29.44
• TPSA: 284.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3074.94
LogP ≤ 5	29.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The IUPAC name of sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 158371065) is sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

What is the SMILES notation for sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The canonical SMILES for sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is Brc1ccc(-n2cccn2)nc1.Brc1ccc(Br)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-n3cccn3)nc2)OC1(C)C.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)c1.O=c1ccc2cnc3ccc(Cl)nc3c2n1-c1cccc(C(F)(F)F)c1.[2H]CF.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cn[nH]c1.

What is the InChIKey of sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

The InChIKey is YQDKFMLESZGTFY-FAHBZGCNSA-N. The full InChI is InChI=1S/C26H18N6O.C18H9ClF3N3O.4C18H15P.C14H18BN3O2.C12H24B2O4.C8H6BrN3.C5H3Br2N.C3H4N2.CH3F.Na.Pd.H/c1-17-4-2-5-20(14-17)32-24(33)11-7-19-16-27-22-9-8-21(30-25(22)26(19)32)18-6-10-23(28-15-18)31-13-3-12-29-31;19-14-6-5-13-16(24-14)17-10(9-23-13)4-7-15(26)25(17)12-3-1-2-11(8-12)18(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)14(3,4)20-15(19-13)11-6-7-12(16-10-11)18-9-5-8-17-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-7-2-3-8(10-6-7)12-5-1-4-11-12;6-4-1-2-5(7)8-3-4;1-2-4-5-3-1;1-2;;;/h2-16H,1H3;1-9H;4*1-15H;5-10H,1-4H3;1-8H3;1-6H;1-3H;1-3H,(H,4,5);1H3;;;/q;;;;;;;;;;;;+1;;-1/i;;;;;;;;;;;1D;;;.

What are the key properties of sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?

sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 3074.94 g/mol, XLogP of 29.44, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-2-pyrazol-1-ylpyridine;2-chloro-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one;deuterio(fluoro)methane;2,5-dibromopyridine;hydride;10-(3-methylphenyl)-2-(6-pyrazol-1-yl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one;palladium;1H-pyrazole;2-pyrazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158371065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).