platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile

C23H14F3N9Pt — CID 59646017

About platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile

platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile (PubChem CID 59646017) has the molecular formula C23H14F3N9Pt and a molecular weight of 668.50 g/mol. Its IUPAC name is platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile.

Molecular Properties

• Compound Name: platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile
• PubChem CID: 59646017
• Molecular Formula: C23H14F3N9Pt
• Molecular Weight: 668.50 g/mol
• Exact Mass: 668.10
• IUPAC Name: platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile
• SMILES: CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-n2[c-]nc3c(C#N)ncnc32)n1.[Pt+2]
• InChI: InChI=1S/C23H14F3N9.Pt/c1-22(2,16-6-3-5-13(31-16)14-9-18(34-33-14)23(24,25)26)17-7-4-8-19(32-17)35-12-30-20-15(10-27)28-11-29-21(20)35;/h3-9,11H,1-2H3;/q-2;+2
• InChIKey: RVTUDKXCSZLKHC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 120.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	668.50
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile?

The IUPAC name of platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile (CID 59646017) is platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile.

What is the SMILES notation for platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile?

The canonical SMILES for platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile is CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-n2[c-]nc3c(C#N)ncnc32)n1.[Pt+2].

What is the InChIKey of platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile?

The InChIKey is RVTUDKXCSZLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N9.Pt/c1-22(2,16-6-3-5-13(31-16)14-9-18(34-33-14)23(24,25)26)17-7-4-8-19(32-17)35-12-30-20-15(10-27)28-11-29-21(20)35;/h3-9,11H,1-2H3;/q-2;+2.

What are the key properties of platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile?

platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile has a molecular weight of 668.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);9-[6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-8H-purin-8-ide-6-carbonitrile is sourced from PubChem (CID 59646017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).