TL;DR: 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)- (CAS 160244-08-6) is a chemical compound with molecular formula C24H31N7O2 and molecular weight 449.25394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-4-piperidin-1-yl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione
Also Known As: 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-, 6-Methyl-4-(piperidin-1-yl)-2-{3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione, 6-methyl-4-piperidin-1-yl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione
| Molecular Formula | C24H31N7O2 |
| Molecular Weight | 449.25394 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.25394 Da |
| Heavy Atoms | 33 |
| Complexity | 686.0 |
| SMILES | CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CCCN4CCN(CC4)C5=NC=CC=N5 |
| InChIKey | VZVOEIKVIQFBDF-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-. Following Lipinski's Rule of Five, 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)- has 0 hydrogen bond donor(s) and 8 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-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)- is 160244-08-6.
The molecular formula of 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)- is C24H31N7O2.
The molecular weight of 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(1-piperidinyl)-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)- is 449.25394 g/mol.
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