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

C14H22N6O2S — CID 35757492

IUPAC7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1
InChIInChI=1S/C14H22N6O2S/c1-5-23(21,22)20-8-6-19(7-9-20)14-13-12(15-11(3)16-14)10(2)17-18(13)4/h5-9H2,1-4H3
InChIKeyIIFUFXNUCWMXCO-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.45
Rot. Bonds3

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

7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine (PubChem CID 35757492) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
PubChem CID35757492
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1
InChIInChI=1S/C14H22N6O2S/c1-5-23(21,22)20-8-6-19(7-9-20)14-13-12(15-11(3)16-14)10(2)17-18(13)4/h5-9H2,1-4H3
InChIKeyIIFUFXNUCWMXCO-UHFFFAOYSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757499
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
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 35758490
N-prop-2-enyl-4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbothioamide
CID 35758483
(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
2-ethoxy-1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 35758507
6-ethyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757163
1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758499
[4-(1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 35757596
4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
CID 166853715

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine (CID 35757492) is 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine is CCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1.
What is the InChIKey of 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
The InChIKey is IIFUFXNUCWMXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-5-23(21,22)20-8-6-19(7-9-20)14-13-12(15-11(3)16-14)10(2)17-18(13)4/h5-9H2,1-4H3.
What are the key properties of 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine?
7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine has a molecular weight of 338.44 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 35757492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).