sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)

C155H163BBr4N24NaO12P4Pd- — CID 159801693

About sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)

sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) (PubChem CID 159801693) has the molecular formula C155H163BBr4N24NaO12P4Pd- and a molecular weight of 3137.90 g/mol. Its IUPAC name is sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
• PubChem CID: 159801693
• Molecular Formula: C155H163BBr4N24NaO12P4Pd-
• Molecular Weight: 3137.90 g/mol
• Exact Mass: 3131.76
• IUPAC Name: sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
• SMILES: C.C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)cc1.Cc1nc2ncc(Br)nc2n1-c1ccc(N2CCOCC2)cc1.Nc1ccc(N2CCOCC2)cc1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1.O=[C-]OO.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H21N7O.4C18H15P.C16H16BrN5O.C14H16BrN5O.C11H17BN2O2.C10H14N2O.C4H3Br2N3.C4H6O3.CHO3.2CH4.Na.Pd.H/c1-14-25-20-21(26-18(13-24-20)15-6-7-23-19(22)12-15)28(14)17-4-2-16(3-5-17)27-8-10-29-11-9-27;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-19-15-16(20-14(17)10-18-15)22(11)13-4-2-12(3-5-13)21-6-8-23-9-7-21;15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;2-1-4-3;;;;;/h2-7,12-13H,8-11H2,1H3,(H2,22,23);4*1-15H;2-5,10H,6-9H2,1H3;1-4,9H,5-8H2,(H2,16,17)(H,18,19);5-7H,1-4H3,(H2,13,14);1-4H,5-8,11H2;1H,(H2,7,8);1-2H3;3H;2*1H4;;;/q;;;;;;;;;;;-1;;;+1;;-1
• InChIKey: XERHEZRSXPIEFT-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 464.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3137.90
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

The IUPAC name of sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) (CID 159801693) is sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane).

What is the SMILES notation for sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

The canonical SMILES for sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) is C.C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)cc1.Cc1nc2ncc(Br)nc2n1-c1ccc(N2CCOCC2)cc1.Nc1ccc(N2CCOCC2)cc1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1.O=[C-]OO.[H-].[Na+].[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 sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

The InChIKey is XERHEZRSXPIEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O.4C18H15P.C16H16BrN5O.C14H16BrN5O.C11H17BN2O2.C10H14N2O.C4H3Br2N3.C4H6O3.CHO3.2CH4.Na.Pd.H/c1-14-25-20-21(26-18(13-24-20)15-6-7-23-19(22)12-15)28(14)17-4-2-16(3-5-17)27-8-10-29-11-9-27;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-19-15-16(20-14(17)10-18-15)22(11)13-4-2-12(3-5-13)21-6-8-23-9-7-21;15-12-9-17-13(16)14(19-12)18-10-1-3-11(4-2-10)20-5-7-21-8-6-20;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;2-1-4-3;;;;;/h2-7,12-13H,8-11H2,1H3,(H2,22,23);4*1-15H;2-5,10H,6-9H2,1H3;1-4,9H,5-8H2,(H2,16,17)(H,18,19);5-7H,1-4H3,(H2,13,14);1-4H,5-8,11H2;1H,(H2,7,8);1-2H3;3H;2*1H4;;;/q;;;;;;;;;;;-1;;;+1;;-1.

What are the key properties of sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) has a molecular weight of 3137.90 g/mol, XLogP of 23.19, 23 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetyl acetate;4-[4-(5-bromo-2-methylimidazo[4,5-b]pyrazin-3-yl)phenyl]morpholine;5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;4-[2-methyl-3-(4-morpholin-4-ylphenyl)imidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;4-morpholin-4-ylaniline;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159801693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).