3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium

C21H18N5O2Pd- — CID 140729241

IUPAC3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium
SMILESCc1cc(-c2nc(Oc3cccc(Oc4ccccn4)n3)c(C)cc2C)[n-]n1.[Pd]
InChIInChI=1S/C21H18N5O2.Pd/c1-13-11-14(2)21(24-20(13)16-12-15(3)25-26-16)28-19-9-6-8-18(23-19)27-17-7-4-5-10-22-17;/h4-12H,1-3H3;/q-1;
InChIKeyVDAXUPXUWRTCLB-UHFFFAOYSA-N
MW478.83 g/mol
LogP4.40
Rot. Bonds5

About 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium

3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium (PubChem CID 140729241) has the molecular formula C21H18N5O2Pd- and a molecular weight of 478.83 g/mol. Its IUPAC name is 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium.

Molecular Properties

Compound Name3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium
PubChem CID140729241
Molecular FormulaC21H18N5O2Pd-
Molecular Weight478.83 g/mol
Exact Mass478.05
IUPAC Name3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium
SMILESCc1cc(-c2nc(Oc3cccc(Oc4ccccn4)n3)c(C)cc2C)[n-]n1.[Pd]
InChIInChI=1S/C21H18N5O2.Pd/c1-13-11-14(2)21(24-20(13)16-12-15(3)25-26-16)28-19-9-6-8-18(23-19)27-17-7-4-5-10-22-17;/h4-12H,1-3H3;/q-1;
InChIKeyVDAXUPXUWRTCLB-UHFFFAOYSA-N
XLogP4.40
TPSA84.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))
CID 160980372
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
3-methyl-2-pyridin-2-yloxypyridine
CID 67923794
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);phosphane
CID 58788802
2-tert-butyl-6-pyridin-2-yloxypyridine
CID 176632030
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
CID 158549694

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium?
The IUPAC name of 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium (CID 140729241) is 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium.
What is the SMILES notation for 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium?
The canonical SMILES for 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium is Cc1cc(-c2nc(Oc3cccc(Oc4ccccn4)n3)c(C)cc2C)[n-]n1.[Pd].
What is the InChIKey of 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium?
The InChIKey is VDAXUPXUWRTCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N5O2.Pd/c1-13-11-14(2)21(24-20(13)16-12-15(3)25-26-16)28-19-9-6-8-18(23-19)27-17-7-4-5-10-22-17;/h4-12H,1-3H3;/q-1;.
What are the key properties of 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium?
3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium has a molecular weight of 478.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(5-methylpyrazol-2-id-3-yl)-6-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]pyridine;palladium is sourced from PubChem (CID 140729241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).