6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))

C131H114F11N20O8P2Pt5-3 — CID 161102382

About 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))

6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)) (PubChem CID 161102382) has the molecular formula C131H114F11N20O8P2Pt5-3 and a molecular weight of 3342.80 g/mol. Its IUPAC name is 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)).

Molecular Properties

• Compound Name: 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))
• PubChem CID: 161102382
• Molecular Formula: C131H114F11N20O8P2Pt5-3
• Molecular Weight: 3342.80 g/mol
• Exact Mass: 3340.67
• IUPAC Name: 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))
• SMILES: CC(C)(C)c1cc(N(c2cccc(C(=O)O)n2)c2cccc(-c3[c-]cc(F)nc3F)n2)cc(C(C)(C)C)c1.CC(C)(c1cc(F)cc(C(=O)O)n1)c1cc(N2CCCC2)cc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cc(N2CCCC2)cc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(P(=O)([N-]c2ccccc2)c2ccccc2)n1.C[N-]P(=O)(c1ccccc1)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C30H29F2N4O2.C30H23F2N4OP.C25H21F2N4OP.C23H20F3N4O2.C23H21F2N4O2.5Pt/c1-29(2,3)18-15-19(30(4,5)6)17-20(16-18)36(26-12-8-10-23(34-26)28(37)38)25-11-7-9-22(33-25)21-13-14-24(31)35-27(21)32;1-30(2,25-16-9-15-24(33-25)23-19-20-27(31)35-29(23)32)26-17-10-18-28(34-26)38(37,22-13-7-4-8-14-22)36-21-11-5-3-6-12-21;1-25(2,20-12-7-11-19(29-20)18-15-16-22(26)31-24(18)27)21-13-8-14-23(30-21)33(32,28-3)17-9-5-4-6-10-17;1-23(2,18-10-13(24)9-17(28-18)22(31)32)19-12-14(30-7-3-4-8-30)11-16(27-19)15-5-6-20(25)29-21(15)26;1-23(2,18-7-5-6-16(26-18)15-8-9-20(24)28-21(15)25)19-13-14(29-10-3-4-11-29)12-17(27-19)22(30)31;;;;;/h7-12,14-17H,1-6H3,(H,37,38);3-18,20H,1-2H3;4-14,16H,1-3H3;6,9-12H,3-4,7-8H2,1-2H3,(H,31,32);5-7,9,12-13H,3-4,10-11H2,1-2H3,(H,30,31);;;;;/q-1;2*-2;2*-1;;;;2*+2
• InChIKey: DQMGACBHWOPBDY-UHFFFAOYSA-N
• XLogP: 28.04
• TPSA: 377.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3342.80
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	3
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

The IUPAC name of 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)) (CID 161102382) is 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)).

What is the SMILES notation for 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

The canonical SMILES for 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)) is CC(C)(C)c1cc(N(c2cccc(C(=O)O)n2)c2cccc(-c3[c-]cc(F)nc3F)n2)cc(C(C)(C)C)c1.CC(C)(c1cc(F)cc(C(=O)O)n1)c1cc(N2CCCC2)cc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cc(N2CCCC2)cc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(P(=O)([N-]c2ccccc2)c2ccccc2)n1.C[N-]P(=O)(c1ccccc1)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)nc3F)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].

What is the InChIKey of 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

The InChIKey is DQMGACBHWOPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N4O2.C30H23F2N4OP.C25H21F2N4OP.C23H20F3N4O2.C23H21F2N4O2.5Pt/c1-29(2,3)18-15-19(30(4,5)6)17-20(16-18)36(26-12-8-10-23(34-26)28(37)38)25-11-7-9-22(33-25)21-13-14-24(31)35-27(21)32;1-30(2,25-16-9-15-24(33-25)23-19-20-27(31)35-29(23)32)26-17-10-18-28(34-26)38(37,22-13-7-4-8-14-22)36-21-11-5-3-6-12-21;1-25(2,20-12-7-11-19(29-20)18-15-16-22(26)31-24(18)27)21-13-8-14-23(30-21)33(32,28-3)17-9-5-4-6-10-17;1-23(2,18-10-13(24)9-17(28-18)22(31)32)19-12-14(30-7-3-4-8-30)11-16(27-19)15-5-6-20(25)29-21(15)26;1-23(2,18-7-5-6-16(26-18)15-8-9-20(24)28-21(15)25)19-13-14(29-10-3-4-11-29)12-17(27-19)22(30)31;;;;;/h7-12,14-17H,1-6H3,(H,37,38);3-18,20H,1-2H3;4-14,16H,1-3H3;6,9-12H,3-4,7-8H2,1-2H3,(H,31,32);5-7,9,12-13H,3-4,10-11H2,1-2H3,(H,30,31);;;;;/q-1;2*-2;2*-1;;;;2*+2.

What are the key properties of 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)) has a molecular weight of 3342.80 g/mol, XLogP of 28.04, 28 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-methylazanide;[[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-phenylphosphoryl]-phenylazanide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-pyrrolidin-1-ylpyridine-2-carboxylic acid;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-pyrrolidin-1-yl-2-pyridinyl]propan-2-yl]-4-fluoropyridine-2-carboxylic acid;platinum;bis(platinum(2+)) is sourced from PubChem (CID 161102382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).