6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

C21H23N4O2Pt- — CID 59171914

About 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59171914) has the molecular formula C21H23N4O2Pt- and a molecular weight of 558.52 g/mol. Its IUPAC name is 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

• Compound Name: 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• PubChem CID: 59171914
• Molecular Formula: C21H23N4O2Pt-
• Molecular Weight: 558.52 g/mol
• Exact Mass: 558.15
• IUPAC Name: 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
• SMILES: CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1.[Pt]
• InChI: InChI=1S/C21H23N4O2.Pt/c1-20(2,3)15-12-13-25(24-15)18-11-7-10-17(23-18)21(4,5)16-9-6-8-14(22-16)19(26)27;/h6-12H,1-5H3,(H,26,27);/q-1
• InChIKey: RYFGWWDYNLBSEI-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.52
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59171914) is 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1.[Pt].

What is the InChIKey of 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is RYFGWWDYNLBSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N4O2.Pt/c1-20(2,3)15-12-13-25(24-15)18-11-7-10-17(23-18)21(4,5)16-9-6-8-14(22-16)19(26)27;/h6-12H,1-5H3,(H,26,27);/q-1;.

What are the key properties of 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 558.52 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 59171914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).