N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide

C26H26N8O4S — CID 136604408

IUPACN-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1
InChIInChI=1S/C26H26N8O4S/c1-15-7-6-8-21(17(15)3)33-23-20(14-27-33)25(36)30-26(29-23)34-22(13-16(2)31-34)28-24(35)18-9-11-19(12-10-18)39(37,38)32(4)5/h6-14H,1-5H3,(H,28,35)(H,29,30,36)
InChIKeyCBCBWRRVXVSWDA-UHFFFAOYSA-N
MW546.61 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide

N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 136604408) has the molecular formula C26H26N8O4S and a molecular weight of 546.61 g/mol. Its IUPAC name is N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID136604408
Molecular FormulaC26H26N8O4S
Molecular Weight546.61 g/mol
Exact Mass546.18
IUPAC NameN-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1
InChIInChI=1S/C26H26N8O4S/c1-15-7-6-8-21(17(15)3)33-23-20(14-27-33)25(36)30-26(29-23)34-22(13-16(2)31-34)28-24(35)18-9-11-19(12-10-18)39(37,38)32(4)5/h6-14H,1-5H3,(H,28,35)(H,29,30,36)
InChIKeyCBCBWRRVXVSWDA-UHFFFAOYSA-N
XLogP2.72
TPSA147.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604364
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]naphthalene-1-carboxamide
CID 136604384
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 136604366
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 136604432
4-chloro-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604008
N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 136630558
N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604664
3-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604251
3-chloro-N-[2-[1-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136630610
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
N-[2-[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-3,5-dimethylbenzamide
CID 136604453
N-[2-[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 135881032

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide (CID 136604408) is N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is CBCBWRRVXVSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O4S/c1-15-7-6-8-21(17(15)3)33-23-20(14-27-33)25(36)30-26(29-23)34-22(13-16(2)31-34)28-24(35)18-9-11-19(12-10-18)39(37,38)32(4)5/h6-14H,1-5H3,(H,28,35)(H,29,30,36).
What are the key properties of N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide?
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 546.61 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 136604408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).