TL;DR: 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl- (CAS 147297-09-4) is a chemical compound with molecular formula C20H21ClN4O3 and molecular weight 400.13022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
Also Known As: 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl-, 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione, 2-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-5,6-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3,4(2H,5H)-trione
| Molecular Formula | C20H21ClN4O3 |
| Molecular Weight | 400.13022 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.13022 Da |
| Heavy Atoms | 28 |
| Complexity | 769.0 |
| SMILES | CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl |
| InChIKey | XXQGEXSFXXEKPD-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl-. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl-. Following Lipinski's Rule of Five, 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl- is 147297-09-4.
The molecular formula of 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl- is C20H21ClN4O3.
The molecular weight of 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 2-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-5,6-dimethyl- is 400.13022 g/mol.
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