4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)

C21H17N5O7Pd+2 — CID 158125702

IUPAC4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)
SMILESCON1C(=O)c2ccc(Oc3ccccc3)c(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)c2C1=O.[Pd+2]
InChIInChI=1S/C21H17N5O7.Pd/c1-24-19(29)16(20(30)25(2)21(24)31)23-22-15-13(33-11-7-5-4-6-8-11)10-9-12-14(15)18(28)26(32-3)17(12)27;/h4-10,29H,1-3H3;/q;+2/b23-22+;
InChIKeyFSDKEANSOFGNOZ-PGCQSHBKSA-N
MW557.82 g/mol
LogP2.15
Rot. Bonds5

About 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)

4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+) (PubChem CID 158125702) has the molecular formula C21H17N5O7Pd+2 and a molecular weight of 557.82 g/mol. Its IUPAC name is 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+).

Molecular Properties

Compound Name4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)
PubChem CID158125702
Molecular FormulaC21H17N5O7Pd+2
Molecular Weight557.82 g/mol
Exact Mass557.02
IUPAC Name4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)
SMILESCON1C(=O)c2ccc(Oc3ccccc3)c(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)c2C1=O.[Pd+2]
InChIInChI=1S/C21H17N5O7.Pd/c1-24-19(29)16(20(30)25(2)21(24)31)23-22-15-13(33-11-7-5-4-6-8-11)10-9-12-14(15)18(28)26(32-3)17(12)27;/h4-10,29H,1-3H3;/q;+2/b23-22+;
InChIKeyFSDKEANSOFGNOZ-PGCQSHBKSA-N
XLogP2.15
TPSA144.79 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 158320819
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
CID 158320818
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-pentan-3-ylisoindole-1,3-dione;nickel(2+)
CID 159066696
copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione
CID 158751448
6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
CID 135767021
6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
CID 535986
5,7-dichloro-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
CID 158887382
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 50796762
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
1-benzyl-8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 156593072
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 50796868
6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)?
The IUPAC name of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+) (CID 158125702) is 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+).
What is the SMILES notation for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)?
The canonical SMILES for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+) is CON1C(=O)c2ccc(Oc3ccccc3)c(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)c2C1=O.[Pd+2].
What is the InChIKey of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)?
The InChIKey is FSDKEANSOFGNOZ-PGCQSHBKSA-N. The full InChI is InChI=1S/C21H17N5O7.Pd/c1-24-19(29)16(20(30)25(2)21(24)31)23-22-15-13(33-11-7-5-4-6-8-11)10-9-12-14(15)18(28)26(32-3)17(12)27;/h4-10,29H,1-3H3;/q;+2/b23-22+;.
What are the key properties of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)?
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+) has a molecular weight of 557.82 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+) is sourced from PubChem (CID 158125702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).