TL;DR: Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)- (CAS 151722-71-3) is a chemical compound with molecular formula C23H31N5O2 and molecular weight 409.24777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-1,3-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolo[3,4-c]pyrrole-4,6-dione
Also Known As: Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, 2-[2-[4-(2-Pyridinyl)-piperazin-1-yl]ethyl]-4,6-dimethyl-5-butylpyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione, 2-butyl-1,3-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolo[3,4-c]pyrrole-4,6-dione, 5-butyl-4,6-dimethyl-2-{2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H,3H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione, 5-Butyl-4,6-dimethyl-2-{2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}pyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
| Molecular Formula | C23H31N5O2 |
| Molecular Weight | 409.24777 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.24777 Da |
| Heavy Atoms | 30 |
| Complexity | 593.0 |
| SMILES | CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=CC=N4)C |
| InChIKey | UWROCNCFBIYNMI-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-. Following Lipinski's Rule of Five, Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)- 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 Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)- is 151722-71-3.
The molecular formula of Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)- is C23H31N5O2.
The molecular weight of Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)- is 409.24777 g/mol.
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