2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum

C21H23F2N6O2Pt- — CID 165126536

About 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum

2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum (PubChem CID 165126536) has the molecular formula C21H23F2N6O2Pt- and a molecular weight of 624.53 g/mol. Its IUPAC name is 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum.

Molecular Properties

• Compound Name: 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum
• PubChem CID: 165126536
• Molecular Formula: C21H23F2N6O2Pt-
• Molecular Weight: 624.53 g/mol
• Exact Mass: 624.15
• IUPAC Name: 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum
• SMILES: [H]/N=C(/[N-]CCNc1ccc(CNC(=O)c2c(CC)nc3ccc(F)cn23)cc1F)OC.[Pt]
• InChI: InChI=1S/C21H24F2N6O2.Pt/c1-3-16-19(29-12-14(22)5-7-18(29)28-16)20(30)27-11-13-4-6-17(15(23)10-13)25-8-9-26-21(24)31-2;/h4-7,10,12,25H,3,8-9,11H2,1-2H3,(H3,24,26,27,30);/p-1
• InChIKey: WFEBXEGTSVRMDY-UHFFFAOYSA-M
• XLogP: 3.47
• TPSA: 105.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.53
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum?

The IUPAC name of 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum (CID 165126536) is 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum.

What is the SMILES notation for 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum?

The canonical SMILES for 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum is [H]/N=C(/[N-]CCNc1ccc(CNC(=O)c2c(CC)nc3ccc(F)cn23)cc1F)OC.[Pt].

What is the InChIKey of 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum?

The InChIKey is WFEBXEGTSVRMDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24F2N6O2.Pt/c1-3-16-19(29-12-14(22)5-7-18(29)28-16)20(30)27-11-13-4-6-17(15(23)10-13)25-8-9-26-21(24)31-2;/h4-7,10,12,25H,3,8-9,11H2,1-2H3,(H3,24,26,27,30);/p-1.

What are the key properties of 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum?

2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum has a molecular weight of 624.53 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluoroanilino]ethyl-(C-methoxycarbonimidoyl)azanide;platinum is sourced from PubChem (CID 165126536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).