2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))

C119H82F19N25OPt5 — CID 158512330

About 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)) (PubChem CID 158512330) has the molecular formula C119H82F19N25OPt5 and a molecular weight of 3214.49 g/mol. Its IUPAC name is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))
• PubChem CID: 158512330
• Molecular Formula: C119H82F19N25OPt5
• Molecular Weight: 3214.49 g/mol
• Exact Mass: 3212.51
• IUPAC Name: 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C#N)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2nc(C#N)n[n-]2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.COc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cccc(-c3[c-]cc(F)c(C(F)(F)F)c3F)n2)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C27H23F2N5.C25H16F8N4O.C23H15F5N4.C23H15F2N5.C21H13F2N7.5Pt/c1-26(2,3)20-15-16-34(33-20)23-12-8-11-22(32-23)27(4,5)21-10-7-9-19(31-21)17-13-14-18(28)25(30-6)24(17)29;1-23(2,19-10-12(38-3)9-16(35-19)17-11-20(37-36-17)24(28,29)30)18-6-4-5-15(34-18)13-7-8-14(26)21(22(13)27)25(31,32)33;1-22(2,18-6-3-5-17(29-18)15-10-9-14(24)13-16(15)25)19-7-4-8-21(30-19)32-12-11-20(31-32)23(26,27)28;1-23(2,21-7-4-8-22(28-21)30-12-11-16(14-26)29-30)20-6-3-5-19(27-20)17-10-9-15(24)13-18(17)25;1-21(2,16-8-4-6-14(26-16)20-28-18(11-24)29-30-20)15-7-3-5-13(25-15)12-9-10-17(22)27-19(12)23;;;;;/h7-12,14-15H,1-5H3;4-6,8-11H,1-3H3;3-9,11,13H,1-2H3;3-9,11,13H,1-2H3;3-8,10H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: AWXFANYVFZEGRD-UHFFFAOYSA-N
• XLogP: 26.17
• TPSA: 323.29 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3214.49
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))?

The IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)) (CID 158512330) is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)).

What is the SMILES notation for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))?

The canonical SMILES for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)) is CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C#N)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2nc(C#N)n[n-]2)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.COc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cccc(-c3[c-]cc(F)c(C(F)(F)F)c3F)n2)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))?

The InChIKey is AWXFANYVFZEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5.C25H16F8N4O.C23H15F5N4.C23H15F2N5.C21H13F2N7.5Pt/c1-26(2,3)20-15-16-34(33-20)23-12-8-11-22(32-23)27(4,5)21-10-7-9-19(31-21)17-13-14-18(28)25(30-6)24(17)29;1-23(2,19-10-12(38-3)9-16(35-19)17-11-20(37-36-17)24(28,29)30)18-6-4-5-15(34-18)13-7-8-14(26)21(22(13)27)25(31,32)33;1-22(2,18-6-3-5-17(29-18)15-10-9-14(24)13-16(15)25)19-7-4-8-21(30-19)32-12-11-20(31-32)23(26,27)28;1-23(2,21-7-4-8-22(28-21)30-12-11-16(14-26)29-30)20-6-3-5-19(27-20)17-10-9-15(24)13-18(17)25;1-21(2,16-8-4-6-14(26-16)20-28-18(11-24)29-30-20)15-7-3-5-13(25-15)12-9-10-17(22)27-19(12)23;;;;;/h7-12,14-15H,1-5H3;4-6,8-11H,1-3H3;3-9,11,13H,1-2H3;3-9,11,13H,1-2H3;3-8,10H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+))?

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)) has a molecular weight of 3214.49 g/mol, XLogP of 26.17, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,4-diaza-1-azanidacyclopenta-2,4-diene-3-carbonitrile;2-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(platinum(2+)) is sourced from PubChem (CID 158512330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).