TL;DR: 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one (CAS 1015847-58-1) is a chemical compound with molecular formula C27H21FN4O3 and molecular weight 468.15976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-5-(4-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H21FN4O3 |
| Molecular Weight | 468.15976 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.15976 Da |
| Heavy Atoms | 35 |
| Complexity | 821.0 |
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)F)/O |
| InChIKey | SIMWLQGTQFZITC-WJTDDFOZSA-N |
The XLogP value of 3.8 indicates that 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is 1015847-58-1.
The molecular formula of 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is C27H21FN4O3.
The molecular weight of 5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is 468.15976 g/mol.
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