2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N7O4S — CID 144824039

About 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144824039) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 144824039
• Molecular Formula: C23H27N7O4S
• Molecular Weight: 497.58 g/mol
• Exact Mass: 497.18
• IUPAC Name: 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(CCS(=O)(=O)N(C)C)c(=O)c12
• InChI: InChI=1S/C23H27N7O4S/c1-14-7-5-8-16-13-17(29(23(32)18(14)16)11-12-35(33,34)28(3)4)15(2)26-22(31)19-20(24)27-30-10-6-9-25-21(19)30/h5-10,13,15H,11-12H2,1-4H3,(H2,24,27)(H,26,31)/t15-/m0/s1
• InChIKey: KNBPUIGMWSJAGU-HNNXBMFYSA-N
• XLogP: 1.32
• TPSA: 144.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.58
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144824039) is 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(CCS(=O)(=O)N(C)C)c(=O)c12.

What is the InChIKey of 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KNBPUIGMWSJAGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-14-7-5-8-16-13-17(29(23(32)18(14)16)11-12-35(33,34)28(3)4)15(2)26-22(31)19-20(24)27-30-10-6-9-25-21(19)30/h5-10,13,15H,11-12H2,1-4H3,(H2,24,27)(H,26,31)/t15-/m0/s1.

What are the key properties of 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-[2-[2-(dimethylsulfamoyl)ethyl]-8-methyl-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144824039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).