TL;DR: Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)- (CAS 164071-35-6) is a chemical compound with molecular formula C27H36N6O2 and molecular weight 476.28998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-5-piperidin-1-ylpyrido[3,4-d]pyridazine-1,4-dione
Also Known As: Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)-, 2-[3-(4-Phenylpiperazino)propyl]-5-piperidino-3,7-dimethylpyrido[3,4-d]pyridazine-1,4(2H,3H)-dione, 3,7-dimethyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-5-(piperidin-1-yl)-1H,2H,3H,4H-pyrido[3,4-d]pyridazine-1,4-dione, 3,7-Dimethyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-5-(piperidin-1-yl)-2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione, 3,7-dimethyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-5-piperidin-1-ylpyrido[3,4-d]pyridazine-1,4-dione
| Molecular Formula | C27H36N6O2 |
| Molecular Weight | 476.28998 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.28998 Da |
| Heavy Atoms | 35 |
| Complexity | 729.0 |
| SMILES | CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(N(C2=O)CCCN4CCN(CC4)C5=CC=CC=C5)C |
| InChIKey | CIBWRRRRKSLETI-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)-. Following Lipinski's Rule of Five, Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(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 Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)- is 164071-35-6.
The molecular formula of Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)- is C27H36N6O2.
The molecular weight of Pyrido(3,4-d)pyridazine-1,4-dione, 2,3-dihydro-3,7-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-5-(1-piperidinyl)- is 476.28998 g/mol.
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