2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum

C21H18F3N6Pt- — CID 58435387

About 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum

2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum (PubChem CID 58435387) has the molecular formula C21H18F3N6Pt- and a molecular weight of 606.49 g/mol. Its IUPAC name is 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum.

Molecular Properties

• Compound Name: 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum
• PubChem CID: 58435387
• Molecular Formula: C21H18F3N6Pt-
• Molecular Weight: 606.49 g/mol
• Exact Mass: 606.12
• IUPAC Name: 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum
• SMILES: Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4cc(C(F)(F)F)cn4)n3)n2)n1.[Pt]
• InChI: InChI=1S/C21H18F3N6.Pt/c1-14-10-11-29(28-14)18-8-4-6-16(26-18)20(2,3)17-7-5-9-19(27-17)30-13-15(12-25-30)21(22,23)24;/h4-10,12-13H,1-3H3;/q-1
• InChIKey: NOMMTOXDLWRIBP-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.49
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum?

The IUPAC name of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum (CID 58435387) is 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum.

What is the SMILES notation for 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum?

The canonical SMILES for 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum is Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4cc(C(F)(F)F)cn4)n3)n2)n1.[Pt].

What is the InChIKey of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum?

The InChIKey is NOMMTOXDLWRIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N6.Pt/c1-14-10-11-29(28-14)18-8-4-6-16(26-18)20(2,3)17-7-5-9-19(27-17)30-13-15(12-25-30)21(22,23)24;/h4-10,12-13H,1-3H3;/q-1;.

What are the key properties of 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum?

2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum has a molecular weight of 606.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum is sourced from PubChem (CID 58435387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).