1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)

C24H18N8OPt — CID 176585852

About 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)

1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) (PubChem CID 176585852) has the molecular formula C24H18N8OPt and a molecular weight of 629.54 g/mol. Its IUPAC name is 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
• PubChem CID: 176585852
• Molecular Formula: C24H18N8OPt
• Molecular Weight: 629.54 g/mol
• Exact Mass: 629.13
• IUPAC Name: 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)c5nccnc54)ccc3)ccc2)c2cncnc21.[Pt+4]
• InChI: InChI=1S/C24H18N8O.Pt/c1-29-15-31(21-13-25-14-28-22(21)29)17-5-3-7-19(11-17)33-20-8-4-6-18(12-20)32-16-30(2)23-24(32)27-10-9-26-23;/h3-10,13-16H,1-2H3;/q-4;+4
• InChIKey: CNOIIKUFMYTNMR-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 73.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.54
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?

The IUPAC name of 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) (CID 176585852) is 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+).

What is the SMILES notation for 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?

The canonical SMILES for 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) is CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)c5nccnc54)ccc3)ccc2)c2cncnc21.[Pt+4].

What is the InChIKey of 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?

The InChIKey is CNOIIKUFMYTNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8O.Pt/c1-29-15-31(21-13-25-14-28-22(21)29)17-5-3-7-19(11-17)33-20-8-4-6-18(12-20)32-16-30(2)23-24(32)27-10-9-26-23;/h3-10,13-16H,1-2H3;/q-4;+4.

What are the key properties of 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)?

1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) has a molecular weight of 629.54 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[3-[3-(9-methyl-8H-purin-8-id-7-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+) is sourced from PubChem (CID 176585852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).