2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)

C19H13F3N6Pt — CID 58831045

IUPAC2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)
SMILESCc1cc(-c2cccc(Cc3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2]
InChIInChI=1S/C19H13F3N6.Pt/c1-11-8-16(26-25-11)14-6-2-4-12(23-14)9-13-5-3-7-15(24-13)17-10-18(28-27-17)19(20,21)22;/h2-8,10H,9H2,1H3;/q-2;+2
InChIKeyWPONDYUDLAVRSE-UHFFFAOYSA-N
MW577.43 g/mol
LogP3.43
Rot. Bonds4

About 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)

2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+) (PubChem CID 58831045) has the molecular formula C19H13F3N6Pt and a molecular weight of 577.43 g/mol. Its IUPAC name is 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)
PubChem CID58831045
Molecular FormulaC19H13F3N6Pt
Molecular Weight577.43 g/mol
Exact Mass577.08
IUPAC Name2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)
SMILESCc1cc(-c2cccc(Cc3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2]
InChIInChI=1S/C19H13F3N6.Pt/c1-11-8-16(26-25-11)14-6-2-4-12(23-14)9-13-5-3-7-15(24-13)17-10-18(28-27-17)19(20,21)22;/h2-8,10H,9H2,1H3;/q-2;+2
InChIKeyWPONDYUDLAVRSE-UHFFFAOYSA-N
XLogP3.43
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)?
The IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+) (CID 58831045) is 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+).
What is the SMILES notation for 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)?
The canonical SMILES for 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+) is Cc1cc(-c2cccc(Cc3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].
What is the InChIKey of 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)?
The InChIKey is WPONDYUDLAVRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6.Pt/c1-11-8-16(26-25-11)14-6-2-4-12(23-14)9-13-5-3-7-15(24-13)17-10-18(28-27-17)19(20,21)22;/h2-8,10H,9H2,1H3;/q-2;+2.
What are the key properties of 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+)?
2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+) has a molecular weight of 577.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-2-id-3-yl)-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine;platinum(2+) is sourced from PubChem (CID 58831045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).