[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)

C28H24F2N4OPt — CID 59399136

About [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+) (PubChem CID 59399136) has the molecular formula C28H24F2N4OPt and a molecular weight of 665.60 g/mol. Its IUPAC name is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+).

Molecular Properties

• Compound Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)
• PubChem CID: 59399136
• Molecular Formula: C28H24F2N4OPt
• Molecular Weight: 665.60 g/mol
• Exact Mass: 665.16
• IUPAC Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)
• SMILES: CC(C)([N-]C(=O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1)c1ccccc1.[Pt+2]
• InChI: InChI=1S/C28H25F2N4O.Pt/c1-27(2,22-14-8-12-20(31-22)19-16-17-24(29)33-25(19)30)23-15-9-13-21(32-23)26(35)34-28(3,4)18-10-6-5-7-11-18;/h5-15,17H,1-4H3,(H,34,35);/q-1;+2/p-1
• InChIKey: BGXCMHKDRVZURK-UHFFFAOYSA-M
• XLogP: 6.39
• TPSA: 69.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.60
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)?

The IUPAC name of [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+) (CID 59399136) is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+).

What is the SMILES notation for [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)?

The canonical SMILES for [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+) is CC(C)([N-]C(=O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1)c1ccccc1.[Pt+2].

What is the InChIKey of [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)?

The InChIKey is BGXCMHKDRVZURK-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H25F2N4O.Pt/c1-27(2,22-14-8-12-20(31-22)19-16-17-24(29)33-25(19)30)23-15-9-13-21(32-23)26(35)34-28(3,4)18-10-6-5-7-11-18;/h5-15,17H,1-4H3,(H,34,35);/q-1;+2/p-1.

What are the key properties of [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+)?

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+) has a molecular weight of 665.60 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(2-phenylpropan-2-yl)azanide;platinum(2+) is sourced from PubChem (CID 59399136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).