4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C15H15FN6 — CID 2422341

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C15H15FN6/c16-12-3-1-2-4-13(12)21-5-7-22(8-6-21)15-11-9-19-20-14(11)17-10-18-15/h1-4,9-10H,5-8H2,(H,17,18,19,20)
InChIKeyQRKLUICYAXZGJB-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.82
Rot. Bonds2

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 2422341) has the molecular formula C15H15FN6 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID2422341
Molecular FormulaC15H15FN6
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C15H15FN6/c16-12-3-1-2-4-13(12)21-5-7-22(8-6-21)15-11-9-19-20-14(11)17-10-18-15/h1-4,9-10H,5-8H2,(H,17,18,19,20)
InChIKeyQRKLUICYAXZGJB-UHFFFAOYSA-N
XLogP1.82
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 2422341) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Fc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is QRKLUICYAXZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6/c16-12-3-1-2-4-13(12)21-5-7-22(8-6-21)15-11-9-19-20-14(11)17-10-18-15/h1-4,9-10H,5-8H2,(H,17,18,19,20).
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 298.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 2422341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).