platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide

C18H10F6N6OPt — CID 142973455

IUPACplatinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide
SMILES[H]/N=C(/C=C(\[NH-])c1cccc(Oc2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1)C(F)(F)F.[Pt+2]
InChIInChI=1S/C18H10F6N6O.Pt/c19-17(20,21)13(26)7-9(25)10-3-1-5-15(27-10)31-16-6-2-4-11(28-16)12-8-14(30-29-12)18(22,23)24;/h1-8,25-26H;/q-2;+2/b9-7-,26-13-;
InChIKeyDBLMQJJDRPNDDU-MYVLWGTKSA-N
MW635.39 g/mol
LogP5.28
Rot. Bonds5

About platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide

platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide (PubChem CID 142973455) has the molecular formula C18H10F6N6OPt and a molecular weight of 635.39 g/mol. Its IUPAC name is platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide.

Molecular Properties

Compound Nameplatinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide
PubChem CID142973455
Molecular FormulaC18H10F6N6OPt
Molecular Weight635.39 g/mol
Exact Mass635.05
IUPAC Nameplatinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide
SMILES[H]/N=C(/C=C(\[NH-])c1cccc(Oc2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1)C(F)(F)F.[Pt+2]
InChIInChI=1S/C18H10F6N6O.Pt/c19-17(20,21)13(26)7-9(25)10-3-1-5-15(27-10)31-16-6-2-4-11(28-16)12-8-14(30-29-12)18(22,23)24;/h1-8,25-26H;/q-2;+2/b9-7-,26-13-;
InChIKeyDBLMQJJDRPNDDU-MYVLWGTKSA-N
XLogP5.28
TPSA109.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide with MolForge

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Related Compounds

2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10135028
2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10271739
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(aminomethyl)-pyridine
CID 11149948
3,5-Difluoro-4-methyl-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 11293516
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(methylaminomethyl)-pyridine
CID 12009735
2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-phenylpyridine
CID 15452298
2-(2,4-Difluorophenyl)-3,5-difluoro-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 18359728
2-(3,4-Difluorophenyl)-3,5-difluoro-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 18359736
2-(3,4-Difluorophenoxy)-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 22590914
2-Methyl-6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridin-3-amine
CID 58370430
1-[6-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]ethanamine
CID 69839926
2-(4-fluorophenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 124112999

Frequently Asked Questions

What is the IUPAC name of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide?
The IUPAC name of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide (CID 142973455) is platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide.
What is the SMILES notation for platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide?
The canonical SMILES for platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide is [H]/N=C(/C=C(\[NH-])c1cccc(Oc2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1)C(F)(F)F.[Pt+2].
What is the InChIKey of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide?
The InChIKey is DBLMQJJDRPNDDU-MYVLWGTKSA-N. The full InChI is InChI=1S/C18H10F6N6O.Pt/c19-17(20,21)13(26)7-9(25)10-3-1-5-15(27-10)31-16-6-2-4-11(28-16)12-8-14(30-29-12)18(22,23)24;/h1-8,25-26H;/q-2;+2/b9-7-,26-13-;.
What are the key properties of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide?
platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide has a molecular weight of 635.39 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide is sourced from PubChem (CID 142973455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).