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

C21H19FN6 — CID 1421264

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H19FN6/c22-18-8-4-5-9-19(18)26-10-12-27(13-11-26)20-17-14-25-28(21(17)24-15-23-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyAHOIVVKRHCTFHO-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.28
Rot. Bonds3

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

4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 1421264) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID1421264
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H19FN6/c22-18-8-4-5-9-19(18)26-10-12-27(13-11-26)20-17-14-25-28(21(17)24-15-23-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyAHOIVVKRHCTFHO-UHFFFAOYSA-N
XLogP3.28
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 1421264) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is Fc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is AHOIVVKRHCTFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-18-8-4-5-9-19(18)26-10-12-27(13-11-26)20-17-14-25-28(21(17)24-15-23-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 374.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1421264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).