TL;DR: 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)- (CAS 160244-09-7) is a chemical compound with molecular formula C27H35N5O2 and molecular weight 461.27908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
Also Known As: 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)-, 3,4-Pyridinedicarboximide, 6-methyl-N-(4-(4-phenyl-1-piperazinyl)butyl)-2-piperidino-, 6-Methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-4-(piperidin-1-yl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione, 6-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
| Molecular Formula | C27H35N5O2 |
| Molecular Weight | 461.27908 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 60.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.27908 Da |
| Heavy Atoms | 34 |
| Complexity | 697.0 |
| SMILES | CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CCCCN4CCN(CC4)C5=CC=CC=C5 |
| InChIKey | JNSQRDDJONVZFC-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)-. Following Lipinski's Rule of Five, 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)- has 0 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 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)- is 160244-09-7.
The molecular formula of 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)- is C27H35N5O2.
The molecular weight of 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)- is 461.27908 g/mol.
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