N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide

C39H36N10Pt — CID 155650636

About N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide

N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide (PubChem CID 155650636) has the molecular formula C39H36N10Pt and a molecular weight of 839.87 g/mol. Its IUPAC name is N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide.

Molecular Properties

• Compound Name: N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide
• PubChem CID: 155650636
• Molecular Formula: C39H36N10Pt
• Molecular Weight: 839.87 g/mol
• Exact Mass: 839.28
• IUPAC Name: N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide
• SMILES: Cc1cc(C)c(-c2cc(N[CH-]N(C)c3nccnc3C)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12
• InChI: InChI=1S/C28H29N8.C11H7N2.Pt/c1-18-11-19(2)25(20(3)12-18)22-13-23(33-16-34(5)26-21(4)29-7-8-30-26)15-24(14-22)36-17-35(6)27-28(36)32-10-9-31-27;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h7-14,16-17,33H,1-6H3;1-7H;/q-3;-1;+4
• InChIKey: MCPJSYHOESIACW-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 100.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.87
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
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 N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide?

The IUPAC name of N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide (CID 155650636) is N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide.

What is the SMILES notation for N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide?

The canonical SMILES for N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide is Cc1cc(C)c(-c2cc(N[CH-]N(C)c3nccnc3C)[c-]c(N3[CH-]N(C)c4nccnc43)c2)c(C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12.

What is the InChIKey of N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide?

The InChIKey is MCPJSYHOESIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N8.C11H7N2.Pt/c1-18-11-19(2)25(20(3)12-18)22-13-23(33-16-34(5)26-21(4)29-7-8-30-26)15-24(14-22)36-17-35(6)27-28(36)32-10-9-31-27;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h7-14,16-17,33H,1-6H3;1-7H;/q-3;-1;+4.

What are the key properties of N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide?

N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide has a molecular weight of 839.87 g/mol, XLogP of 7.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide is sourced from PubChem (CID 155650636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).