[(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine

C98H88BrF12N19O3Pt — CID 159463393

About [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine

[(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine (PubChem CID 159463393) has the molecular formula C98H88BrF12N19O3Pt and a molecular weight of 2082.87 g/mol. Its IUPAC name is [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine.

Molecular Properties

• Compound Name: [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine
• PubChem CID: 159463393
• Molecular Formula: C98H88BrF12N19O3Pt
• Molecular Weight: 2082.87 g/mol
• Exact Mass: 2080.60
• IUPAC Name: [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine
• SMILES: Cc1cc(-c2cccc(-c3cccc(-c4cccc(C(C=C(N)C(F)(F)F)=NC5CCCCO5)c4)c3)n2)n(C2CCCCO2)n1.FC(F)(F)c1cc(-c2cccc(Br)n2)n(C2CCCCO2)n1.[H]/N=C(C)\C=C(/[NH-])c1cccc(-c2cccc(-c3cccc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n3)c2)n1.[H]/N=C(\C=C(N)C(F)(F)F)c1cccc(-c2cccc(-c3cccc(-c4cc(C)[nH]n4)n3)c2)c1.[Pt+2]
• InChI: InChI=1S/C35H36F3N5O2.C25H20F3N5.C24H19F3N6.C14H13BrF3N3O.Pt/c1-23-19-31(43(42-23)34-16-3-5-18-45-34)29-14-8-13-28(40-29)26-11-6-9-24(20-26)25-10-7-12-27(21-25)30(22-32(39)35(36,37)38)41-33-15-2-4-17-44-33;1-15-11-23(33-32-15)22-10-4-9-21(31-22)19-8-3-6-17(13-19)16-5-2-7-18(12-16)20(29)14-24(30)25(26,27)28;1-14(28)11-17(29)21-9-3-7-19(32-21)15-5-2-6-16(12-15)20-8-4-10-22(33-20)18(30)13-23(31)24(25,26)27;15-12-5-3-4-9(19-12)10-8-11(14(16,17)18)20-21(10)13-6-1-2-7-22-13;/h6-14,19-22,33-34H,2-5,15-18,39H2,1H3;2-14,29H,30H2,1H3,(H,32,33);2-13,28-31H,1H3;3-5,8,13H,1-2,6-7H2;/q;;-2;;+2/b;24-14?,29-20+;17-11-,18-13-,28-14-,31-23+
• InChIKey: MOCWTYLRJYNCFA-YMRWPHLQSA-N
• XLogP: 25.54
• TPSA: 340.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2082.87
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine?

The IUPAC name of [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine (CID 159463393) is [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine.

What is the SMILES notation for [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine?

The canonical SMILES for [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine is Cc1cc(-c2cccc(-c3cccc(-c4cccc(C(C=C(N)C(F)(F)F)=NC5CCCCO5)c4)c3)n2)n(C2CCCCO2)n1.FC(F)(F)c1cc(-c2cccc(Br)n2)n(C2CCCCO2)n1.[H]/N=C(C)\C=C(/[NH-])c1cccc(-c2cccc(-c3cccc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n3)c2)n1.[H]/N=C(\C=C(N)C(F)(F)F)c1cccc(-c2cccc(-c3cccc(-c4cc(C)[nH]n4)n3)c2)c1.[Pt+2].

What is the InChIKey of [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine?

The InChIKey is MOCWTYLRJYNCFA-YMRWPHLQSA-N. The full InChI is InChI=1S/C35H36F3N5O2.C25H20F3N5.C24H19F3N6.C14H13BrF3N3O.Pt/c1-23-19-31(43(42-23)34-16-3-5-18-45-34)29-14-8-13-28(40-29)26-11-6-9-24(20-26)25-10-7-12-27(21-25)30(22-32(39)35(36,37)38)41-33-15-2-4-17-44-33;1-15-11-23(33-32-15)22-10-4-9-21(31-22)19-8-3-6-17(13-19)16-5-2-7-18(12-16)20(29)14-24(30)25(26,27)28;1-14(28)11-17(29)21-9-3-7-19(32-21)15-5-2-6-16(12-15)20-8-4-10-22(33-20)18(30)13-23(31)24(25,26)27;15-12-5-3-4-9(19-12)10-8-11(14(16,17)18)20-21(10)13-6-1-2-7-22-13;/h6-14,19-22,33-34H,2-5,15-18,39H2,1H3;2-14,29H,30H2,1H3,(H,32,33);2-13,28-31H,1H3;3-5,8,13H,1-2,6-7H2;/q;;-2;;+2/b;24-14?,29-20+;17-11-,18-13-,28-14-,31-23+;;.

What are the key properties of [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine?

[(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine has a molecular weight of 2082.87 g/mol, XLogP of 25.54, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-bromo-6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-imino-4-[3-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]phenyl]but-2-en-2-amine;1,1,1-trifluoro-4-[3-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]-4-(oxan-2-ylimino)but-2-en-2-amine is sourced from PubChem (CID 159463393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).