3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H16BrN7O3S — CID 19462048

About 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462048) has the molecular formula C19H16BrN7O3S and a molecular weight of 502.35 g/mol. Its IUPAC name is 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19462048
• Molecular Formula: C19H16BrN7O3S
• Molecular Weight: 502.35 g/mol
• Exact Mass: 501.02
• IUPAC Name: 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn4cccnc4c3Br)cc2)n1
• InChI: InChI=1S/C19H16BrN7O3S/c1-11-10-12(2)23-19(22-11)26-31(29,30)14-6-4-13(5-7-14)24-18(28)16-15(20)17-21-8-3-9-27(17)25-16/h3-10H,1-2H3,(H,24,28)(H,22,23,26)
• InChIKey: PRGFBRQBHGPYOD-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 131.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.35
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462048) is 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn4cccnc4c3Br)cc2)n1.

What is the InChIKey of 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is PRGFBRQBHGPYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN7O3S/c1-11-10-12(2)23-19(22-11)26-31(29,30)14-6-4-13(5-7-14)24-18(28)16-15(20)17-21-8-3-9-27(17)25-16/h3-10H,1-2H3,(H,24,28)(H,22,23,26).

What are the key properties of 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 502.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).