TL;DR: Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)- (CAS 148680-55-1) is a chemical compound with molecular formula C23H25FN6O2 and molecular weight 436.2023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Also Known As: Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)-, 2-(4-Methoxyphenyl)-5-[4-(4-fluorophenyl)piperazinomethyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one, 5-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-3H,3aH,4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
| Molecular Formula | C23H25FN6O2 |
| Molecular Weight | 436.2023 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.2023 Da |
| Heavy Atoms | 32 |
| Complexity | 724.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3C2)CN4CCN(CC4)C5=CC=C(C=C5)F |
| InChIKey | RQYNRUWEARTNBI-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)-. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)-. Following Lipinski's Rule of Five, Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)- is 148680-55-1.
The molecular formula of Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)- is C23H25FN6O2.
The molecular weight of Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-(4-methoxyphenyl)- is 436.2023 g/mol.
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