copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate

C32H34CuN4O5 — CID 72700754

IUPACcopper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Cu+2].c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C28H28N4O.2C2H4O2.Cu/c1-6-16-32(17-7-1)18-19-33-24-12-10-22(11-13-24)23-20-27(25-8-2-4-14-29-25)31-28(21-23)26-9-3-5-15-30-26;2*1-2(3)4;/h2-5,8-15,20-21H,1,6-7,16-19H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyIUCZCVOBVKBHLK-UHFFFAOYSA-L
MW618.19 g/mol
LogP3.25
Rot. Bonds7

About copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate

copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate (PubChem CID 72700754) has the molecular formula C32H34CuN4O5 and a molecular weight of 618.19 g/mol. Its IUPAC name is copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate.

Molecular Properties

Compound Namecopper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate
PubChem CID72700754
Molecular FormulaC32H34CuN4O5
Molecular Weight618.19 g/mol
Exact Mass617.18
IUPAC Namecopper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Cu+2].c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C28H28N4O.2C2H4O2.Cu/c1-6-16-32(17-7-1)18-19-33-24-12-10-22(11-13-24)23-20-27(25-8-2-4-14-29-25)31-28(21-23)26-9-3-5-15-30-26;2*1-2(3)4;/h2-5,8-15,20-21H,1,6-7,16-19H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyIUCZCVOBVKBHLK-UHFFFAOYSA-L
XLogP3.25
TPSA131.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
The IUPAC name of copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate (CID 72700754) is copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate.
What is the SMILES notation for copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
The canonical SMILES for copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate is CC(=O)[O-].CC(=O)[O-].[Cu+2].c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
The InChIKey is IUCZCVOBVKBHLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H28N4O.2C2H4O2.Cu/c1-6-16-32(17-7-1)18-19-33-24-12-10-22(11-13-24)23-20-27(25-8-2-4-14-29-25)31-28(21-23)26-9-3-5-15-30-26;2*1-2(3)4;/h2-5,8-15,20-21H,1,6-7,16-19H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate has a molecular weight of 618.19 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate is sourced from PubChem (CID 72700754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).