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

C22H22N6O2S — CID 655067

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N6O2S/c1-17-7-9-19(10-8-17)31(29,30)27-13-11-26(12-14-27)21-20-15-25-28(22(20)24-16-23-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKeyQYSIVRNRNANAKR-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.63
Rot. Bonds4

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

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 655067) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID655067
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N6O2S/c1-17-7-9-19(10-8-17)31(29,30)27-13-11-26(12-14-27)21-20-15-25-28(22(20)24-16-23-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKeyQYSIVRNRNANAKR-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 655067) is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is QYSIVRNRNANAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-17-7-9-19(10-8-17)31(29,30)27-13-11-26(12-14-27)21-20-15-25-28(22(20)24-16-23-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 434.53 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 655067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).