[(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)

C133H137F10N18O4Pt4-5 — CID 160920398

About [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)

[(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+) (PubChem CID 160920398) has the molecular formula C133H137F10N18O4Pt4-5 and a molecular weight of 3021.97 g/mol. Its IUPAC name is [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+).

Molecular Properties

• Compound Name: [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)
• PubChem CID: 160920398
• Molecular Formula: C133H137F10N18O4Pt4-5
• Molecular Weight: 3021.97 g/mol
• Exact Mass: 3019.95
• IUPAC Name: [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)
• SMILES: CC(C)c1cc(C(C)C)cc(N(C(=[N-])/C=C\Nc2[c-]cc(CCCC3(C)CCCCC3)c(C#N)c2)c2cccc(-c3[c-]cc(F)nc3F)n2)c1.CCC1(Cc2cc(-c3[c-]cc(F)nc3F)nc(C(C)(C)c3nc(-c4[c-]cc(F)nc4F)cn3C)c2)CCCCC1.Cc1cccc(C)c1-n1cc(C(C)(C)c2cccc(-c3[c-]cc(F)c(CCC4(C)CCCC4)c3F)n2)nc1C(=O)O.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3nc(C(=O)O)cn3CC3(C)CCCC3)n2)c1F.[Pt+2].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C42H45F2N6.C34H36F2N3O2.C31H31F4N5.C26H25F2N4O2.4Pt/c1-28(2)31-23-32(29(3)4)26-35(25-31)50(40-13-9-12-37(48-40)36-16-17-38(43)49-41(36)44)39(46)18-22-47-34-15-14-30(33(24-34)27-45)11-10-21-42(5)19-7-6-8-20-42;1-21-10-8-11-22(2)30(21)39-20-28(38-31(39)32(40)41)33(3,4)27-13-9-12-26(37-27)24-14-15-25(35)23(29(24)36)16-19-34(5)17-6-7-18-34;1-5-31(13-7-6-8-14-31)17-19-15-22(20-9-11-25(32)38-27(20)34)36-24(16-19)30(2,3)29-37-23(18-40(29)4)21-10-12-26(33)39-28(21)35;1-25(2,24-31-19(23(33)34)14-32(24)15-26(3)12-5-6-13-26)20-9-7-8-18(30-20)16-10-11-17(27)22(29-4)21(16)28;;;;/h9,12-14,17-18,22-26,28-29,47H,6-8,10-11,19-21H2,1-5H3;8-13,15,20H,6-7,16-19H2,1-5H3,(H,40,41);11-12,15-16,18H,5-8,13-14,17H2,1-4H3;7-9,11,14H,5-6,12-13,15H2,1-3H3,(H,33,34);;;;/q-3;-1;-2;-1;;;;+2/b22-18-
• InChIKey: KRSVEENTCRAHOS-WGTMGDMNSA-N
• XLogP: 32.83
• TPSA: 284.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 33
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3021.97
LogP ≤ 5	32.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)?

The IUPAC name of [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+) (CID 160920398) is [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+).

What is the SMILES notation for [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)?

The canonical SMILES for [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+) is CC(C)c1cc(C(C)C)cc(N(C(=[N-])/C=C\Nc2[c-]cc(CCCC3(C)CCCCC3)c(C#N)c2)c2cccc(-c3[c-]cc(F)nc3F)n2)c1.CCC1(Cc2cc(-c3[c-]cc(F)nc3F)nc(C(C)(C)c3nc(-c4[c-]cc(F)nc4F)cn3C)c2)CCCCC1.Cc1cccc(C)c1-n1cc(C(C)(C)c2cccc(-c3[c-]cc(F)c(CCC4(C)CCCC4)c3F)n2)nc1C(=O)O.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3nc(C(=O)O)cn3CC3(C)CCCC3)n2)c1F.[Pt+2].[Pt].[Pt].[Pt].

What is the InChIKey of [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)?

The InChIKey is KRSVEENTCRAHOS-WGTMGDMNSA-N. The full InChI is InChI=1S/C42H45F2N6.C34H36F2N3O2.C31H31F4N5.C26H25F2N4O2.4Pt/c1-28(2)31-23-32(29(3)4)26-35(25-31)50(40-13-9-12-37(48-40)36-16-17-38(43)49-41(36)44)39(46)18-22-47-34-15-14-30(33(24-34)27-45)11-10-21-42(5)19-7-6-8-20-42;1-21-10-8-11-22(2)30(21)39-20-28(38-31(39)32(40)41)33(3,4)27-13-9-12-26(37-27)24-14-15-25(35)23(29(24)36)16-19-34(5)17-6-7-18-34;1-5-31(13-7-6-8-14-31)17-19-15-22(20-9-11-25(32)38-27(20)34)36-24(16-19)30(2,3)29-37-23(18-40(29)4)21-10-12-26(33)39-28(21)35;1-25(2,24-31-19(23(33)34)14-32(24)15-26(3)12-5-6-13-26)20-9-7-8-18(30-20)16-10-11-17(27)22(29-4)21(16)28;;;;/h9,12-14,17-18,22-26,28-29,47H,6-8,10-11,19-21H2,1-5H3;8-13,15,20H,6-7,16-19H2,1-5H3,(H,40,41);11-12,15-16,18H,5-8,13-14,17H2,1-4H3;7-9,11,14H,5-6,12-13,15H2,1-3H3,(H,33,34);;;;/q-3;-1;-2;-1;;;;+2/b22-18-;;;;;;;.

What are the key properties of [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+)?

[(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+) has a molecular weight of 3021.97 g/mol, XLogP of 32.83, 33 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-3-[[3-cyano-4-[3-(1-methylcyclohexyl)propyl]benzene-6-id-1-yl]amino]-1-[N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-3,5-di(propan-2-yl)anilino]prop-2-enylidene]azanide;2-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1-[(1-methylcyclopentyl)methyl]imidazole-4-carboxylic acid;4-[2-[6-[2,4-difluoro-3-[2-(1-methylcyclopentyl)ethyl]benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-1-(2,6-dimethylphenyl)imidazole-2-carboxylic acid;3-[2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-[(1-ethylcyclohexyl)methyl]-2-pyridinyl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum;platinum(2+) is sourced from PubChem (CID 160920398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).