4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine

C7H7IN4 — CID 59525175

IUPAC4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1ncnc2n[nH]c(I)c12
InChIInChI=1S/C7H7IN4/c1-2-4-5-6(8)11-12-7(5)10-3-9-4/h3H,2H2,1H3,(H,9,10,11,12)
InChIKeySLYQQIWONYQOCZ-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.52
Rot. Bonds1

About 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine

4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 59525175) has the molecular formula C7H7IN4 and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID59525175
Molecular FormulaC7H7IN4
Molecular Weight274.06 g/mol
Exact Mass273.97
IUPAC Name4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1ncnc2n[nH]c(I)c12
InChIInChI=1S/C7H7IN4/c1-2-4-5-6(8)11-12-7(5)10-3-9-4/h3H,2H2,1H3,(H,9,10,11,12)
InChIKeySLYQQIWONYQOCZ-UHFFFAOYSA-N
XLogP1.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine (CID 59525175) is 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine is CCc1ncnc2n[nH]c(I)c12.
What is the InChIKey of 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is SLYQQIWONYQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN4/c1-2-4-5-6(8)11-12-7(5)10-3-9-4/h3H,2H2,1H3,(H,9,10,11,12).
What are the key properties of 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 274.06 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-iodo-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 59525175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).