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

C21H19FN6O2S — CID 650008

IUPAC4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H19FN6O2S/c22-16-6-8-18(9-7-16)31(29,30)27-12-10-26(11-13-27)20-19-14-25-28(21(19)24-15-23-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2
InChIKeyNLSXSKSGWRHPLQ-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.47
Rot. Bonds4

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

4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 650008) has the molecular formula C21H19FN6O2S and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID650008
Molecular FormulaC21H19FN6O2S
Molecular Weight438.49 g/mol
Exact Mass438.13
IUPAC Name4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H19FN6O2S/c22-16-6-8-18(9-7-16)31(29,30)27-12-10-26(11-13-27)20-19-14-25-28(21(19)24-15-23-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2
InChIKeyNLSXSKSGWRHPLQ-UHFFFAOYSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 650008) is 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is NLSXSKSGWRHPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2S/c22-16-6-8-18(9-7-16)31(29,30)27-12-10-26(11-13-27)20-19-14-25-28(21(19)24-15-23-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2.
What are the key properties of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 438.49 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 650008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).