5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium

C60H69I2N14O11Pd- — CID 159120569

About 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium

5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium (PubChem CID 159120569) has the molecular formula C60H69I2N14O11Pd- and a molecular weight of 1522.53 g/mol. Its IUPAC name is 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium.

Molecular Properties

• Compound Name: 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium
• PubChem CID: 159120569
• Molecular Formula: C60H69I2N14O11Pd-
• Molecular Weight: 1522.53 g/mol
• Exact Mass: 1521.24
• IUPAC Name: 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium
• SMILES: COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCCN1CCCC1)C3=O.COc1nccc(I)c1C=O.Nc1cc2c(cc1N)C(=O)N(CCCN1CCCC1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)N(CCCN1CCCC1)C2=O.[CH3-].[Pd]
• InChI: InChI=1S/C22H22IN5O3.C15H18N4O4.C15H20N4O2.C7H6INO2.CH3.Pd/c1-31-20-18(15(23)5-6-24-20)19-25-16-11-13-14(12-17(16)26-19)22(30)28(21(13)29)10-4-9-27-7-2-3-8-27;16-12-8-10-11(9-13(12)19(22)23)15(21)18(14(10)20)7-3-6-17-4-1-2-5-17;16-12-8-10-11(9-13(12)17)15(21)19(14(10)20)7-3-6-18-4-1-2-5-18;1-11-7-5(4-10)6(8)2-3-9-7;;/h5-6,11-12H,2-4,7-10H2,1H3,(H,25,26);8-9H,1-7,16H2;8-9H,1-7,16-17H2;2-4H,1H3;1H3;/q;;;;-1
• InChIKey: WLNYVHNJLOIEGB-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 333.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1522.53
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium?

The IUPAC name of 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium (CID 159120569) is 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium.

What is the SMILES notation for 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium?

The canonical SMILES for 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium is COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCCN1CCCC1)C3=O.COc1nccc(I)c1C=O.Nc1cc2c(cc1N)C(=O)N(CCCN1CCCC1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)N(CCCN1CCCC1)C2=O.[CH3-].[Pd].

What is the InChIKey of 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium?

The InChIKey is WLNYVHNJLOIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IN5O3.C15H18N4O4.C15H20N4O2.C7H6INO2.CH3.Pd/c1-31-20-18(15(23)5-6-24-20)19-25-16-11-13-14(12-17(16)26-19)22(30)28(21(13)29)10-4-9-27-7-2-3-8-27;16-12-8-10-11(9-13(12)19(22)23)15(21)18(14(10)20)7-3-6-17-4-1-2-5-17;16-12-8-10-11(9-13(12)17)15(21)19(14(10)20)7-3-6-18-4-1-2-5-18;1-11-7-5(4-10)6(8)2-3-9-7;;/h5-6,11-12H,2-4,7-10H2,1H3,(H,25,26);8-9H,1-7,16H2;8-9H,1-7,16-17H2;2-4H,1H3;1H3;/q;;;;-1;.

What are the key properties of 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium?

5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium has a molecular weight of 1522.53 g/mol, XLogP of 7.47, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-nitro-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;carbanide;5,6-diamino-2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;palladium is sourced from PubChem (CID 159120569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).