dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate

C22H24Cu2N4O8 — CID 139057716

IUPACdicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1
InChIInChI=1S/2C7H6N2.4C2H4O2.2Cu/c2*1-2-6-3-5-9-7(6)8-4-1;4*1-2(3)4;;/h2*1-5H,(H,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyZQNGTFSUEGXUHA-UHFFFAOYSA-J
MW599.55 g/mol
LogP-1.85
Rot. Bonds

About dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate

dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate (PubChem CID 139057716) has the molecular formula C22H24Cu2N4O8 and a molecular weight of 599.55 g/mol. Its IUPAC name is dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate.

Molecular Properties

Compound Namedicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate
PubChem CID139057716
Molecular FormulaC22H24Cu2N4O8
Molecular Weight599.55 g/mol
Exact Mass598.02
IUPAC Namedicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1
InChIInChI=1S/2C7H6N2.4C2H4O2.2Cu/c2*1-2-6-3-5-9-7(6)8-4-1;4*1-2(3)4;;/h2*1-5H,(H,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyZQNGTFSUEGXUHA-UHFFFAOYSA-J
XLogP-1.85
TPSA217.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.55
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(E)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]prop-2-enamide
CID 155541608
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137641170
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 58512139
N-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 58512456
N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide
CID 118249297
2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
CID 56883627
N-[4-[3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118237888
N-[4-[3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249406
1H-Pyrrolo[2,3-b]pyridine, 3,3'-methylenebis[2-methyl-
CID 589415
N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 49759050
N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 58087381

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate?
The IUPAC name of dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate (CID 139057716) is dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate.
What is the SMILES notation for dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate?
The canonical SMILES for dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.
What is the InChIKey of dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate?
The InChIKey is ZQNGTFSUEGXUHA-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H6N2.4C2H4O2.2Cu/c2*1-2-6-3-5-9-7(6)8-4-1;4*1-2(3)4;;/h2*1-5H,(H,8,9);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate?
dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate has a molecular weight of 599.55 g/mol, XLogP of -1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate is sourced from PubChem (CID 139057716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).