TL;DR: 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide (CAS 1005679-23-1) is a chemical compound with molecular formula C20H20F3N5O2S and molecular weight 451.12897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
Also Known As: 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide, 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
| Molecular Formula | C20H20F3N5O2S |
| Molecular Weight | 451.12897 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.12897 Da |
| Heavy Atoms | 31 |
| Complexity | 789.0 |
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CN4C(=CC(=N4)C(F)(F)F)C5CC5 |
| InChIKey | BQKPQGOWPUCSEV-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide. Following Lipinski's Rule of Five, 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide is 1005679-23-1.
The molecular formula of 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide is C20H20F3N5O2S.
The molecular weight of 5-Cyclopropyl-N-(5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide is 451.12897 g/mol.
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