copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate

C12H14CuIN5O4 — CID 175873270

IUPACcopper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Nc1ncnc2c1c(I)nn2C1CC1.[Cu+2]
InChIInChI=1S/C8H8IN5.2C2H4O2.Cu/c9-6-5-7(10)11-3-12-8(5)14(13-6)4-1-2-4;2*1-2(3)4;/h3-4H,1-2H2,(H2,10,11,12);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyDJDDTINXIPOAQY-UHFFFAOYSA-L
MW482.73 g/mol
LogP-1.14
Rot. Bonds1

About copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate

copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate (PubChem CID 175873270) has the molecular formula C12H14CuIN5O4 and a molecular weight of 482.73 g/mol. Its IUPAC name is copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate.

Molecular Properties

Compound Namecopper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
PubChem CID175873270
Molecular FormulaC12H14CuIN5O4
Molecular Weight482.73 g/mol
Exact Mass481.94
IUPAC Namecopper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Nc1ncnc2c1c(I)nn2C1CC1.[Cu+2]
InChIInChI=1S/C8H8IN5.2C2H4O2.Cu/c9-6-5-7(10)11-3-12-8(5)14(13-6)4-1-2-4;2*1-2(3)4;/h3-4H,1-2H2,(H2,10,11,12);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyDJDDTINXIPOAQY-UHFFFAOYSA-L
XLogP-1.14
TPSA149.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.73
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-1-[4-(2-methoxyethoxy)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58597231
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
tert-butyl 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)-2-methylpiperidine-1-carboxylate
CID 141497445
3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118579175
2-[(1R,3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]acetic acid
CID 154996492
tert-butyl (2S)-4-[4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-2-methylpiperazine-1-carboxylate
CID 158956628
1-[3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]but-2-yn-1-one
CID 175016703
1-[(3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-one
CID 134259429
1-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 135356289
[1-[3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]-methylcarbamic acid
CID 70167543
1-[(3S)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 131733331
1-cyclohex-2-en-1-yl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 135356347

Frequently Asked Questions

What is the IUPAC name of copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate?
The IUPAC name of copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate (CID 175873270) is copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate.
What is the SMILES notation for copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate?
The canonical SMILES for copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate is CC(=O)[O-].CC(=O)[O-].Nc1ncnc2c1c(I)nn2C1CC1.[Cu+2].
What is the InChIKey of copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate?
The InChIKey is DJDDTINXIPOAQY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8IN5.2C2H4O2.Cu/c9-6-5-7(10)11-3-12-8(5)14(13-6)4-1-2-4;2*1-2(3)4;/h3-4H,1-2H2,(H2,10,11,12);2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate?
copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate has a molecular weight of 482.73 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate is sourced from PubChem (CID 175873270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).