N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

C13H20N6O2S — CID 165433268

IUPACN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1nc(N2CCC(NS(C)(=O)=O)CC2)c2cnn(C)c2n1
InChIInChI=1S/C13H20N6O2S/c1-9-15-12-11(8-14-18(12)2)13(16-9)19-6-4-10(5-7-19)17-22(3,20)21/h8,10,17H,4-7H2,1-3H3
InChIKeyCZURJPUAIFVFJE-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.19
Rot. Bonds3

About N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 165433268) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
PubChem CID165433268
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC NameN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1nc(N2CCC(NS(C)(=O)=O)CC2)c2cnn(C)c2n1
InChIInChI=1S/C13H20N6O2S/c1-9-15-12-11(8-14-18(12)2)13(16-9)19-6-4-10(5-7-19)17-22(3,20)21/h8,10,17H,4-7H2,1-3H3
InChIKeyCZURJPUAIFVFJE-UHFFFAOYSA-N
XLogP0.19
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (CID 165433268) is N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is Cc1nc(N2CCC(NS(C)(=O)=O)CC2)c2cnn(C)c2n1.
What is the InChIKey of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is CZURJPUAIFVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-9-15-12-11(8-14-18(12)2)13(16-9)19-6-4-10(5-7-19)17-22(3,20)21/h8,10,17H,4-7H2,1-3H3.
What are the key properties of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 165433268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).