2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)

C28H27F2N3Pt — CID 154612378

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)

2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 154612378) has the molecular formula C28H27F2N3Pt and a molecular weight of 638.62 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 154612378
• Molecular Formula: C28H27F2N3Pt
• Molecular Weight: 638.62 g/mol
• Exact Mass: 638.18
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)
• SMILES: CC(C)C(C)c1cc(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)nn1-c1[c-]cccc1.[Pt+2]
• InChI: InChI=1S/C28H27F2N3.Pt/c1-18(2)19(3)25-17-27(32-33(25)21-10-7-6-8-11-21)28(4,5)26-13-9-12-24(31-26)22-15-14-20(29)16-23(22)30;/h6-10,12-14,16-19H,1-5H3;/q-2;+2
• InChIKey: PIPAZLKFKVSJCQ-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.62
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+) (CID 154612378) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+) is CC(C)C(C)c1cc(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)nn1-c1[c-]cccc1.[Pt+2].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is PIPAZLKFKVSJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3.Pt/c1-18(2)19(3)25-17-27(32-33(25)21-10-7-6-8-11-21)28(4,5)26-13-9-12-24(31-26)22-15-14-20(29)16-23(22)30;/h6-10,12-14,16-19H,1-5H3;/q-2;+2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)?

2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 638.62 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 154612378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).