2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))

C48H36F12N12Pt2 — CID 159553640

IUPAC2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))
SMILESCC(C)(c1cc(F)cc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cc(F)cc(-c2[c-]cc(F)nc2F)n1.CN(C)c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cc(N(C)C)cc(-c3[c-]cc(F)nc3F)n2)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C26H24F5N7.C22H12F7N5.2Pt/c1-25(2,20-11-14(37(3)4)9-17(32-20)16-7-8-23(27)34-24(16)28)21-12-15(38(5)6)10-18(33-21)19-13-22(36-35-19)26(29,30)31;1-21(2,16-7-10(23)5-13(30-16)12-3-4-19(25)32-20(12)26)17-8-11(24)6-14(31-17)15-9-18(34-33-15)22(27,28)29;;/h8-13H,1-6H3;4-9H,1-2H3;;/q2*-2;2*+2
InChIKeyXGIHCEWMLLJYSF-UHFFFAOYSA-N
MW1399.03 g/mol
LogP10.37
Rot. Bonds10

About 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))

2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)) (PubChem CID 159553640) has the molecular formula C48H36F12N12Pt2 and a molecular weight of 1399.03 g/mol. Its IUPAC name is 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)).

Molecular Properties

Compound Name2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))
PubChem CID159553640
Molecular FormulaC48H36F12N12Pt2
Molecular Weight1399.03 g/mol
Exact Mass1398.23
IUPAC Name2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))
SMILESCC(C)(c1cc(F)cc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cc(F)cc(-c2[c-]cc(F)nc2F)n1.CN(C)c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cc(N(C)C)cc(-c3[c-]cc(F)nc3F)n2)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C26H24F5N7.C22H12F7N5.2Pt/c1-25(2,20-11-14(37(3)4)9-17(32-20)16-7-8-23(27)34-24(16)28)21-12-15(38(5)6)10-18(33-21)19-13-22(36-35-19)26(29,30)31;1-21(2,16-7-10(23)5-13(30-16)12-3-4-19(25)32-20(12)26)17-8-11(24)6-14(31-17)15-9-18(34-33-15)22(27,28)29;;/h8-13H,1-6H3;4-9H,1-2H3;;/q2*-2;2*+2
InChIKeyXGIHCEWMLLJYSF-UHFFFAOYSA-N
XLogP10.37
TPSA137.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001399.03
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))?
The IUPAC name of 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)) (CID 159553640) is 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)).
What is the SMILES notation for 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))?
The canonical SMILES for 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)) is CC(C)(c1cc(F)cc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cc(F)cc(-c2[c-]cc(F)nc2F)n1.CN(C)c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(C(C)(C)c2cc(N(C)C)cc(-c3[c-]cc(F)nc3F)n2)c1.[Pt+2].[Pt+2].
What is the InChIKey of 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))?
The InChIKey is XGIHCEWMLLJYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F5N7.C22H12F7N5.2Pt/c1-25(2,20-11-14(37(3)4)9-17(32-20)16-7-8-23(27)34-24(16)28)21-12-15(38(5)6)10-18(33-21)19-13-22(36-35-19)26(29,30)31;1-21(2,16-7-10(23)5-13(30-16)12-3-4-19(25)32-20(12)26)17-8-11(24)6-14(31-17)15-9-18(34-33-15)22(27,28)29;;/h8-13H,1-6H3;4-9H,1-2H3;;/q2*-2;2*+2.
What are the key properties of 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+))?
2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)) has a molecular weight of 1399.03 g/mol, XLogP of 10.37, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-(dimethylamino)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;bis(platinum(2+)) is sourced from PubChem (CID 159553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).