2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)

C26H18F8N4O2Pt — CID 59645942

About 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)

2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+) (PubChem CID 59645942) has the molecular formula C26H18F8N4O2Pt and a molecular weight of 765.52 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)
• PubChem CID: 59645942
• Molecular Formula: C26H18F8N4O2Pt
• Molecular Weight: 765.52 g/mol
• Exact Mass: 765.09
• IUPAC Name: 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)
• SMILES: COc1cc(-c2nc(C(F)(F)F)c(C(F)(F)F)[n-]2)nc(C(C)(C)c2cc(OC)cc(-c3[c-]cc(F)cc3F)n2)c1.[Pt+2]
• InChI: InChI=1S/C26H18F8N4O2.Pt/c1-24(2,19-10-13(39-3)8-17(35-19)15-6-5-12(27)7-16(15)28)20-11-14(40-4)9-18(36-20)23-37-21(25(29,30)31)22(38-23)26(32,33)34;/h5,7-11H,1-4H3;/q-2;+2
• InChIKey: QHHJQNRUNVPLCE-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 71.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.52
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
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 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)?

The IUPAC name of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+) (CID 59645942) is 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+).

What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)?

The canonical SMILES for 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+) is COc1cc(-c2nc(C(F)(F)F)c(C(F)(F)F)[n-]2)nc(C(C)(C)c2cc(OC)cc(-c3[c-]cc(F)cc3F)n2)c1.[Pt+2].

What is the InChIKey of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)?

The InChIKey is QHHJQNRUNVPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F8N4O2.Pt/c1-24(2,19-10-13(39-3)8-17(35-19)15-6-5-12(27)7-16(15)28)20-11-14(40-4)9-18(36-20)23-37-21(25(29,30)31)22(38-23)26(32,33)34;/h5,7-11H,1-4H3;/q-2;+2.

What are the key properties of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+)?

2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+) has a molecular weight of 765.52 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;platinum(2+) is sourced from PubChem (CID 59645942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).