2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)

C23H20F2N6OPt — CID 58709033

About 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)

2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+) (PubChem CID 58709033) has the molecular formula C23H20F2N6OPt and a molecular weight of 629.53 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+).

Molecular Properties

• Compound Name: 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)
• PubChem CID: 58709033
• Molecular Formula: C23H20F2N6OPt
• Molecular Weight: 629.53 g/mol
• Exact Mass: 629.13
• IUPAC Name: 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)
• SMILES: CN(C)c1cc(Oc2[c-]c(-c3cc(N(C)C)ccn3)c(F)cc2F)nc(-c2ncc[n-]2)c1.[Pt+2]
• InChI: InChI=1S/C23H20F2N6O.Pt/c1-30(2)14-5-6-26-19(9-14)16-12-21(18(25)13-17(16)24)32-22-11-15(31(3)4)10-20(29-22)23-27-7-8-28-23;/h5-11,13H,1-4H3;/q-2;+2
• InChIKey: YDMBEXXEZJAALZ-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 68.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.53
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)?

The IUPAC name of 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+) (CID 58709033) is 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+).

What is the SMILES notation for 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)?

The canonical SMILES for 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+) is CN(C)c1cc(Oc2[c-]c(-c3cc(N(C)C)ccn3)c(F)cc2F)nc(-c2ncc[n-]2)c1.[Pt+2].

What is the InChIKey of 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)?

The InChIKey is YDMBEXXEZJAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O.Pt/c1-30(2)14-5-6-26-19(9-14)16-12-21(18(25)13-17(16)24)32-22-11-15(31(3)4)10-20(29-22)23-27-7-8-28-23;/h5-11,13H,1-4H3;/q-2;+2.

What are the key properties of 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+)?

2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+) has a molecular weight of 629.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]oxy-6-imidazol-3-id-2-yl-N,N-dimethylpyridin-4-amine;platinum(2+) is sourced from PubChem (CID 58709033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).