2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum

C22H15F5N5Pt- — CID 58444365

IUPAC2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum
SMILESCC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2cc(C(F)(F)F)cn2)n1.[Pt]
InChIInChI=1S/C22H15F5N5.Pt/c1-21(2,16-6-3-5-15(29-16)14-9-10-18(23)31-20(14)24)17-7-4-8-19(30-17)32-12-13(11-28-32)22(25,26)27;/h3-8,10-12H,1-2H3;/q-1;
InChIKeyGVRUSOFIEVMKNE-UHFFFAOYSA-N
MW639.47 g/mol
LogP5.14
Rot. Bonds4

About 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum

2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum (PubChem CID 58444365) has the molecular formula C22H15F5N5Pt- and a molecular weight of 639.47 g/mol. Its IUPAC name is 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum.

Molecular Properties

Compound Name2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum
PubChem CID58444365
Molecular FormulaC22H15F5N5Pt-
Molecular Weight639.47 g/mol
Exact Mass639.09
IUPAC Name2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum
SMILESCC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2cc(C(F)(F)F)cn2)n1.[Pt]
InChIInChI=1S/C22H15F5N5.Pt/c1-21(2,16-6-3-5-15(29-16)14-9-10-18(23)31-20(14)24)17-7-4-8-19(30-17)32-12-13(11-28-32)22(25,26)27;/h3-8,10-12H,1-2H3;/q-1;
InChIKeyGVRUSOFIEVMKNE-UHFFFAOYSA-N
XLogP5.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3S,4R)-1-(4-tert-butylpyridin-2-yl)-4-methylpiperidin-3-yl]-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 146369762
1-[6-(4-Fluoropiperidin-3-yl)pyridin-2-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine
CID 89914500
US20230303562, Example 4
CID 169429059
2-[2-[6-(Trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
CID 70115766
1-[2,4-Bis(trifluoromethyl)phenyl]-6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
CID 10116555
2-[3-(Trifluoromethyl)pyrazol-1-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]propan-2-yl]pyridine
CID 16225710
Iridium;4-methyl-2-phenylpyridine;5-pyrazol-1-yl-3-(trifluoromethyl)pyrazol-1-ide
CID 57596562
2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57603934
2,6-difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57604023
2,6-Difluoro-3-[4-fluoro-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]propan-2-yl]pyridin-2-yl]pyridine
CID 57604024
2-(2,4-difluorobenzene-6-id-1-yl)-4-fluoro-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57604032
2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57604039

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum?
The IUPAC name of 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum (CID 58444365) is 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum.
What is the SMILES notation for 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum?
The canonical SMILES for 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum is CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2cc(C(F)(F)F)cn2)n1.[Pt].
What is the InChIKey of 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum?
The InChIKey is GVRUSOFIEVMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N5.Pt/c1-21(2,16-6-3-5-15(29-16)14-9-10-18(23)31-20(14)24)17-7-4-8-19(30-17)32-12-13(11-28-32)22(25,26)27;/h3-8,10-12H,1-2H3;/q-1;.
What are the key properties of 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum?
2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum has a molecular weight of 639.47 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum is sourced from PubChem (CID 58444365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).