[(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)

C135H134ClN9O2P4PdSn — CID 157252560

About [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)

[(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane) (PubChem CID 157252560) has the molecular formula C135H134ClN9O2P4PdSn and a molecular weight of 2299.10 g/mol. Its IUPAC name is [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)
• PubChem CID: 157252560
• Molecular Formula: C135H134ClN9O2P4PdSn
• Molecular Weight: 2299.10 g/mol
• Exact Mass: 2297.74
• IUPAC Name: [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccccc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2ccccc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H23N5O.C20H19ClN4O.4C18H15P.C6H5.3C4H9.Pd.Sn/c1-18-17-29(25(31)19-9-3-2-4-10-19)15-16-30(18)24-21-12-6-5-11-20(21)23(27-28-24)22-13-7-8-14-26-22;1-14-13-24(20(26)15-7-3-2-4-8-15)11-12-25(14)19-17-10-6-5-9-16(17)18(21)22-23-19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-14,18H,15-17H2,1H3;2-10,14H,11-13H2,1H3;4*1-15H;1-5H;3*1,3-4H2,2H3;;/t18-;14-;;;;;;;;;;/m11........../s1
• InChIKey: AWMUXEVSUWGCIL-KLBIUKDFSA-N
• XLogP: 27.20
• TPSA: 111.55 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2299.10
LogP ≤ 5	27.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)?

The IUPAC name of [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane) (CID 157252560) is [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane).

What is the SMILES notation for [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)?

The canonical SMILES for [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)c1ccccc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2ccccc12.[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 [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)?

The InChIKey is AWMUXEVSUWGCIL-KLBIUKDFSA-N. The full InChI is InChI=1S/C25H23N5O.C20H19ClN4O.4C18H15P.C6H5.3C4H9.Pd.Sn/c1-18-17-29(25(31)19-9-3-2-4-10-19)15-16-30(18)24-21-12-6-5-11-20(21)23(27-28-24)22-13-7-8-14-26-22;1-14-13-24(20(26)15-7-3-2-4-8-15)11-12-25(14)19-17-10-6-5-9-16(17)18(21)22-23-19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-14,18H,15-17H2,1H3;2-10,14H,11-13H2,1H3;4*1-15H;1-5H;3*1,3-4H2,2H3;;/t18-;14-;;;;;;;;;;/m11........../s1.

What are the key properties of [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane)?

[(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 2299.10 g/mol, XLogP of 27.20, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-4-(4-chlorophthalazin-1-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[(3R)-3-methyl-4-(4-pyridin-2-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone;palladium;tributyl(phenyl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).