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

C96H88BrF12N21O3Pt — CID 158564185

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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine (PubChem CID 158564185) has the molecular formula C96H88BrF12N21O3Pt and a molecular weight of 2086.86 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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine
• PubChem CID: 158564185
• Molecular Formula: C96H88BrF12N21O3Pt
• Molecular Weight: 2086.86 g/mol
• Exact Mass: 2084.60
• 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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine
• SMILES: Cc1cc(-c2cccc(-c3cccc(-c4cccc(C(C=C(N)C(F)(F)F)=NC5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1.NC(=CC(=NC1CCCCO1)c1cccc(Br)n1)C(F)(F)F.[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)n1.[Pt+2]
• InChI: InChI=1S/C34H35F3N6O2.2C24H19F3N6.C14H15BrF3N3O.Pt/c1-22-19-30(43(42-22)33-16-3-5-18-45-33)28-14-8-12-26(40-28)24-10-6-9-23(20-24)25-11-7-13-27(39-25)29(21-31(38)34(35,36)37)41-32-15-2-4-17-44-32;1-14-11-22(33-32-14)21-10-4-8-19(31-21)16-6-2-5-15(12-16)18-7-3-9-20(30-18)17(28)13-23(29)24(25,26)27;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(20-12)10(8-11(19)14(16,17)18)21-13-6-1-2-7-22-13;/h6-14,19-21,32-33H,2-5,15-18,38H2,1H3;2-13,28H,29H2,1H3,(H,32,33);2-13,28-31H,1H3;3-5,8,13H,1-2,6-7,19H2;/q;;-2;;+2/b;23-13?,28-17+;17-11-,18-13-,28-14-,31-23+
• InChIKey: AVBQIBOKWOUIKS-YNXKMGEISA-N
• XLogP: 23.46
• TPSA: 386.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.86
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine (CID 158564185) 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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine is Cc1cc(-c2cccc(-c3cccc(-c4cccc(C(C=C(N)C(F)(F)F)=NC5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1.NC(=CC(=NC1CCCCO1)c1cccc(Br)n1)C(F)(F)F.[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)n1.[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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine?

The InChIKey is AVBQIBOKWOUIKS-YNXKMGEISA-N. The full InChI is InChI=1S/C34H35F3N6O2.2C24H19F3N6.C14H15BrF3N3O.Pt/c1-22-19-30(43(42-22)33-16-3-5-18-45-33)28-14-8-12-26(40-28)24-10-6-9-23(20-24)25-11-7-13-27(39-25)29(21-31(38)34(35,36)37)41-32-15-2-4-17-44-32;1-14-11-22(33-32-14)21-10-4-8-19(31-21)16-6-2-5-15(12-16)18-7-3-9-20(30-18)17(28)13-23(29)24(25,26)27;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(20-12)10(8-11(19)14(16,17)18)21-13-6-1-2-7-22-13;/h6-14,19-21,32-33H,2-5,15-18,38H2,1H3;2-13,28H,29H2,1H3,(H,32,33);2-13,28-31H,1H3;3-5,8,13H,1-2,6-7,19H2;/q;;-2;;+2/b;23-13?,28-17+;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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine has a molecular weight of 2086.86 g/mol, XLogP of 23.46, 21 rotatable bonds, 7 hydrogen bond donors, and 21 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;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine is sourced from PubChem (CID 158564185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).