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

C20H16F2N4O3PtS — CID 59399073

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

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylsulfonylazanide;platinum(2+) (PubChem CID 59399073) has the molecular formula C20H16F2N4O3PtS and a molecular weight of 625.51 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]-methylsulfonylazanide;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]-methylsulfonylazanide;platinum(2+)
• PubChem CID: 59399073
• Molecular Formula: C20H16F2N4O3PtS
• Molecular Weight: 625.51 g/mol
• Exact Mass: 625.06
• IUPAC Name: [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylsulfonylazanide;platinum(2+)
• SMILES: CC(C)(c1cccc(C(=O)[N-]S(C)(=O)=O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt+2]
• InChI: InChI=1S/C20H17F2N4O3S.Pt/c1-20(2,16-9-5-7-14(24-16)19(27)26-30(3,28)29)15-8-4-6-13(23-15)12-10-11-17(21)25-18(12)22;/h4-9,11H,1-3H3,(H,26,27);/q-1;+2/p-1
• InChIKey: KTESWEIQGQAMKZ-UHFFFAOYSA-M
• XLogP: 3.41
• TPSA: 103.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.51
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]-methylsulfonylazanide;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]-methylsulfonylazanide;platinum(2+) (CID 59399073) is [6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylsulfonylazanide;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]-methylsulfonylazanide;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]-methylsulfonylazanide;platinum(2+) is CC(C)(c1cccc(C(=O)[N-]S(C)(=O)=O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[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]-methylsulfonylazanide;platinum(2+)?

The InChIKey is KTESWEIQGQAMKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17F2N4O3S.Pt/c1-20(2,16-9-5-7-14(24-16)19(27)26-30(3,28)29)15-8-4-6-13(23-15)12-10-11-17(21)25-18(12)22;/h4-9,11H,1-3H3,(H,26,27);/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]-methylsulfonylazanide;platinum(2+)?

[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylsulfonylazanide;platinum(2+) has a molecular weight of 625.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-methylsulfonylazanide;platinum(2+) is sourced from PubChem (CID 59399073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).