4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide

C21H24N8O4S — CID 75119319

IUPAC4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C2=NC(=O)C3C=NN(C)C3=N2)cc1
InChIInChI=1S/C21H24N8O4S/c1-5-28(6-2)34(32,33)15-9-7-14(8-10-15)19(30)23-17-11-13(3)26-29(17)21-24-18-16(20(31)25-21)12-22-27(18)4/h7-12,16H,5-6H2,1-4H3,(H,23,30)
InChIKeyZSKWZWIEANHGFK-UHFFFAOYSA-N
MW484.54 g/mol
LogP1.16
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide

4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide (PubChem CID 75119319) has the molecular formula C21H24N8O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
PubChem CID75119319
Molecular FormulaC21H24N8O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC Name4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C2=NC(=O)C3C=NN(C)C3=N2)cc1
InChIInChI=1S/C21H24N8O4S/c1-5-28(6-2)34(32,33)15-9-7-14(8-10-15)19(30)23-17-11-13(3)26-29(17)21-24-18-16(20(31)25-21)12-22-27(18)4/h7-12,16H,5-6H2,1-4H3,(H,23,30)
InChIKeyZSKWZWIEANHGFK-UHFFFAOYSA-N
XLogP1.16
TPSA141.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-chloro-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 75119269
3-bromo-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 75119271
4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 73451704
2-chloro-4-fluoro-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 75119337
4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 75119244
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 75119431
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
N-[2-[1-(4-fluorophenyl)-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-nitrofuran-2-carboxamide
CID 74415597
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 42110600
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
N-[2-[1-(3-chlorophenyl)-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 74776677

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide (CID 75119319) is 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C2=NC(=O)C3C=NN(C)C3=N2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide?
The InChIKey is ZSKWZWIEANHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O4S/c1-5-28(6-2)34(32,33)15-9-7-14(8-10-15)19(30)23-17-11-13(3)26-29(17)21-24-18-16(20(31)25-21)12-22-27(18)4/h7-12,16H,5-6H2,1-4H3,(H,23,30).
What are the key properties of 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide?
4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide has a molecular weight of 484.54 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 75119319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).