5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine

C14H22N6O2S — CID 35758503

IUPAC5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine
SMILESCCc1nc(N2CCN(S(C)(=O)=O)CC2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H22N6O2S/c1-5-11-15-12-10(2)17-18(3)13(12)14(16-11)19-6-8-20(9-7-19)23(4,21)22/h5-9H2,1-4H3
InChIKeyPPWCGMGTICIHMT-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.32
Rot. Bonds3

About 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine

5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine (PubChem CID 35758503) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine
PubChem CID35758503
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine
SMILESCCc1nc(N2CCN(S(C)(=O)=O)CC2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H22N6O2S/c1-5-11-15-12-10(2)17-18(3)13(12)14(16-11)19-6-8-20(9-7-19)23(4,21)22/h5-9H2,1-4H3
InChIKeyPPWCGMGTICIHMT-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
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
2-ethoxy-1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 35758507
7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757499
1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758499
[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 35757558
2-(2,4-dichloro-5-methoxyphenoxy)-1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 35758501
1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
CID 39893215
N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 35757472
2-[1,3-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pyrazol-4-yl]ethanamine
CID 63783283
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 35758490
3-ethyl-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 133333050
6-ethyl-3-methyl-1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42671620

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine (CID 35758503) is 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine is CCc1nc(N2CCN(S(C)(=O)=O)CC2)c2c(n1)c(C)nn2C.
What is the InChIKey of 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine?
The InChIKey is PPWCGMGTICIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-5-11-15-12-10(2)17-18(3)13(12)14(16-11)19-6-8-20(9-7-19)23(4,21)22/h5-9H2,1-4H3.
What are the key properties of 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine?
5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine has a molecular weight of 338.44 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 35758503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).