4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide

C17H21N7O2S — CID 171998145

IUPAC4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
SMILESCc1nc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H21N7O2S/c1-12-20-16-15(11-19-22(16)2)17(21-12)24-9-7-23(8-10-24)13-3-5-14(6-4-13)27(18,25)26/h3-6,11H,7-10H2,1-2H3,(H2,18,25,26)
InChIKeyARCZSUQRZDAOHV-UHFFFAOYSA-N
MW387.47 g/mol
LogP0.65
Rot. Bonds3

About 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide

4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide (PubChem CID 171998145) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
PubChem CID171998145
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
SMILESCc1nc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H21N7O2S/c1-12-20-16-15(11-19-22(16)2)17(21-12)24-9-7-23(8-10-24)13-3-5-14(6-4-13)27(18,25)26/h3-6,11H,7-10H2,1-2H3,(H2,18,25,26)
InChIKeyARCZSUQRZDAOHV-UHFFFAOYSA-N
XLogP0.65
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165433268
4-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
CID 171998071
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704533
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 139028022
2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 154853609
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 86959123
3-amino-1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953895
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide (CID 171998145) is 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide is Cc1nc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is ARCZSUQRZDAOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-12-20-16-15(11-19-22(16)2)17(21-12)24-9-7-23(8-10-24)13-3-5-14(6-4-13)27(18,25)26/h3-6,11H,7-10H2,1-2H3,(H2,18,25,26).
What are the key properties of 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide?
4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171998145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).