TL;DR: 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005615-64-4) is a chemical compound with molecular formula C16H16F3N5O2S and molecular weight 399.0977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
Also Known As: 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide, 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide, 1-METHYL-N-[2-METHYL-4-OXO-6-PROPYLTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C16H16F3N5O2S |
| Molecular Weight | 399.0977 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0977 Da |
| Heavy Atoms | 27 |
| Complexity | 644.0 |
| SMILES | CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=NN(C(=C3)C(F)(F)F)C)C |
| InChIKey | YXZCEONCNPJCSG-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 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 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005615-64-4.
The molecular formula of 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is C16H16F3N5O2S.
The molecular weight of 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is 399.0977 g/mol.
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