2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C21H17F3N6Pt — CID 58831023

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

2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 58831023) has the molecular formula C21H17F3N6Pt and a molecular weight of 605.48 g/mol. Its IUPAC name is 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 58831023
• Molecular Formula: C21H17F3N6Pt
• Molecular Weight: 605.48 g/mol
• Exact Mass: 605.11
• IUPAC Name: 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• SMILES: Cc1cc(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2]
• InChI: InChI=1S/C21H17F3N6.Pt/c1-12-10-15(28-27-12)13-6-4-8-17(25-13)20(2,3)18-9-5-7-14(26-18)16-11-19(30-29-16)21(22,23)24;/h4-11H,1-3H3;/q-2;+2
• InChIKey: CFTHDFSWYGRLCY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.48
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 58831023) is 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

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

The canonical SMILES for 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is Cc1cc(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].

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

The InChIKey is CFTHDFSWYGRLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6.Pt/c1-12-10-15(28-27-12)13-6-4-8-17(25-13)20(2,3)18-9-5-7-14(26-18)16-11-19(30-29-16)21(22,23)24;/h4-11H,1-3H3;/q-2;+2.

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

2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 605.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58831023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).