3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))

C49H32F5N11OPt2 — CID 157216485

About 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))

3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)) (PubChem CID 157216485) has the molecular formula C49H32F5N11OPt2 and a molecular weight of 1276.02 g/mol. Its IUPAC name is 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)).

Molecular Properties

• Compound Name: 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))
• PubChem CID: 157216485
• Molecular Formula: C49H32F5N11OPt2
• Molecular Weight: 1276.02 g/mol
• Exact Mass: 1275.20
• IUPAC Name: 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1ncn(-c2[c-]ccc(C#N)c2)n1.COc1ccc(N(c2cccc(-c3[c-]ccnc3C(F)(F)F)n2)c2ccn(-c3[c-]cccc3)n2)cc1.[Pt+2].[Pt+2]
• InChI: InChI=1S/C27H18F3N5O.C22H14F2N6.2Pt/c1-36-21-14-12-20(13-15-21)35(25-16-18-34(33-25)19-7-3-2-4-8-19)24-11-5-10-23(32-24)22-9-6-17-31-26(22)27(28,29)30;1-22(2,21-26-13-30(29-21)15-6-3-5-14(11-15)12-25)18-8-4-7-17(27-18)16-9-10-19(23)28-20(16)24;;/h2-7,10-18H,1H3;3-5,7-8,10-11,13H,1-2H3;;/q2*-2;2*+2
• InChIKey: MOXQHXWGDCWCPL-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 136.35 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.02
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))?

The IUPAC name of 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)) (CID 157216485) is 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)).

What is the SMILES notation for 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))?

The canonical SMILES for 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)) is CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1ncn(-c2[c-]ccc(C#N)c2)n1.COc1ccc(N(c2cccc(-c3[c-]ccnc3C(F)(F)F)n2)c2ccn(-c3[c-]cccc3)n2)cc1.[Pt+2].[Pt+2].

What is the InChIKey of 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))?

The InChIKey is MOXQHXWGDCWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N5O.C22H14F2N6.2Pt/c1-36-21-14-12-20(13-15-21)35(25-16-18-34(33-25)19-7-3-2-4-8-19)24-11-5-10-23(32-24)22-9-6-17-31-26(22)27(28,29)30;1-22(2,21-26-13-30(29-21)15-6-3-5-14(11-15)12-25)18-8-4-7-17(27-18)16-9-10-19(23)28-20(16)24;;/h2-7,10-18H,1H3;3-5,7-8,10-11,13H,1-2H3;;/q2*-2;2*+2.

What are the key properties of 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))?

3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)) has a molecular weight of 1276.02 g/mol, XLogP of 10.22, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+)) is sourced from PubChem (CID 157216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).