2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)

C31H31F5N4Pt — CID 58161787

About 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)

2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) (PubChem CID 58161787) has the molecular formula C31H31F5N4Pt and a molecular weight of 749.68 g/mol. Its IUPAC name is 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
• PubChem CID: 58161787
• Molecular Formula: C31H31F5N4Pt
• Molecular Weight: 749.68 g/mol
• Exact Mass: 749.21
• IUPAC Name: 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
• SMILES: CCC(C)c1cc(-c2[c-]cc(F)cc2F)nc(C(C)(C)c2cc(CC(C)C)cc(-c3cc(C(F)(F)F)n[n-]3)n2)c1.[Pt+2]
• InChI: InChI=1S/C31H31F5N4.Pt/c1-7-18(4)20-13-24(22-9-8-21(32)15-23(22)33)37-28(14-20)30(5,6)27-12-19(10-17(2)3)11-25(38-27)26-16-29(40-39-26)31(34,35)36;/h8,11-18H,7,10H2,1-6H3;/q-2;+2
• InChIKey: KZAJMRGOSNFBHG-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 52.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.68
LogP ≤ 5	8.30
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-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) (CID 58161787) is 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) is CCC(C)c1cc(-c2[c-]cc(F)cc2F)nc(C(C)(C)c2cc(CC(C)C)cc(-c3cc(C(F)(F)F)n[n-]3)n2)c1.[Pt+2].

What is the InChIKey of 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?

The InChIKey is KZAJMRGOSNFBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F5N4.Pt/c1-7-18(4)20-13-24(22-9-8-21(32)15-23(22)33)37-28(14-20)30(5,6)27-12-19(10-17(2)3)11-25(38-27)26-16-29(40-39-26)31(34,35)36;/h8,11-18H,7,10H2,1-6H3;/q-2;+2.

What are the key properties of 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?

2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) has a molecular weight of 749.68 g/mol, XLogP of 8.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-butan-2-yl-6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58161787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).