7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine

C16H26N6O2S — CID 35757499

IUPAC7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1
InChIInChI=1S/C16H26N6O2S/c1-5-6-11-25(23,24)22-9-7-21(8-10-22)16-15-14(17-13(3)18-16)12(2)19-20(15)4/h5-11H2,1-4H3
InChIKeyHZRPGXJMPWLISR-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.23
Rot. Bonds5

About 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine

7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine (PubChem CID 35757499) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
PubChem CID35757499
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1
InChIInChI=1S/C16H26N6O2S/c1-5-6-11-25(23,24)22-9-7-21(8-10-22)16-15-14(17-13(3)18-16)12(2)19-20(15)4/h5-11H2,1-4H3
InChIKeyHZRPGXJMPWLISR-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757492
1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
CID 39893215
5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine
CID 35758503
N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 35757472
2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine
CID 5071054
N-prop-2-enyl-4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbothioamide
CID 35758483
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
(E)-3-phenyl-1-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]prop-2-en-1-one
CID 35757512
1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90507644
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667

Frequently Asked Questions

What is the IUPAC name of 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine (CID 35757499) is 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine is CCCCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1.
What is the InChIKey of 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
The InChIKey is HZRPGXJMPWLISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-5-6-11-25(23,24)22-9-7-21(8-10-22)16-15-14(17-13(3)18-16)12(2)19-20(15)4/h5-11H2,1-4H3.
What are the key properties of 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine has a molecular weight of 366.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 35757499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).