2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H21ClN8O3S — CID 129097465

About 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097465) has the molecular formula C23H21ClN8O3S and a molecular weight of 524.99 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129097465
• Molecular Formula: C23H21ClN8O3S
• Molecular Weight: 524.99 g/mol
• Exact Mass: 524.11
• IUPAC Name: 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNS(=O)(=O)c1ccc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)cc1
• InChI: InChI=1S/C23H21ClN8O3S/c1-13(29-23(33)19-21(25)30-32-9-3-8-28-22(19)32)16-10-17(24)18-11-27-12-31(18)20(16)14-4-6-15(7-5-14)36(34,35)26-2/h3-13,26H,1-2H3,(H2,25,30)(H,29,33)
• InChIKey: BNACHODYRSQRSL-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 148.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.99
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097465) is 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNS(=O)(=O)c1ccc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)cc1.

What is the InChIKey of 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BNACHODYRSQRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O3S/c1-13(29-23(33)19-21(25)30-32-9-3-8-28-22(19)32)16-10-17(24)18-11-27-12-31(18)20(16)14-4-6-15(7-5-14)36(34,35)26-2/h3-13,26H,1-2H3,(H2,25,30)(H,29,33).

What are the key properties of 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 524.99 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[8-chloro-5-[4-(methylsulfamoyl)phenyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).