TL;DR: 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)- (CAS 150064-14-5) is a chemical compound with molecular formula C20H25N5O3S and molecular weight 415.16782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dimethyl-2-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
Also Known As: 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)-, 5,6-dimethyl-2-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione, 5,6-Dimethyl-2-{4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl}-1H-pyrrolo[3,4-c]pyridine-1,3,4(2H,5H)-trione
| Molecular Formula | C20H25N5O3S |
| Molecular Weight | 415.16782 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16782 Da |
| Heavy Atoms | 29 |
| Complexity | 772.0 |
| SMILES | CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CS4 |
| InChIKey | QYCIEXMLMQWAIB-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)-. Following Lipinski's Rule of Five, 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)- 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 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)- is 150064-14-5.
The molecular formula of 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)- is C20H25N5O3S.
The molecular weight of 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)- is 415.16782 g/mol.
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