AC1LL4BV
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: Oprea1_091458|Oprea1_230435|BAS 00481620|AG-690/11155030|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide|N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(7-methyl-5-phenyl(8-hydro pyrazolo[1,5-a]pyrimidin-2-yl))carboxamide|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide|N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C23H19N5OS |
|---|---|
| Molecular Weight | 413.13104 g/mol |
| LogP | 4.769 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.13104 |
| Monoisotopic Mass | 413.13104 |
| Heavy Atoms | 30 |
| Complexity | 1313.1107 |
Chemical Identifiers
| CAS Number | 333395-79-2 |
|---|---|
| SMILES | CC1=CC(=NC2=CC(=NN12)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5 |
Product Overview
AC1LL4BV (CAS 333395-79-2), with molecular formula C23H19N5OS and molecular weight 413.13104 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.