TL;DR: 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole (CAS 121218-49-3) is a chemical compound with molecular formula C17H20N4O2 and molecular weight 312.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8-dimethoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole
Also Known As: 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole, 7,8-Dimethoxy-4-(1-piperidinyl)-5H-pyrimido[5,4-b]indole, 7,8-dimethoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole
| Molecular Formula | C17H20N4O2 |
| Molecular Weight | 312.15863 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.15863 Da |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
| SMILES | COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCCCC4)OC |
| InChIKey | JEBGGGJLNDSORP-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole has 1 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 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole is 121218-49-3.
The molecular formula of 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole is C17H20N4O2.
The molecular weight of 7,8-dimethoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole is 312.15863 g/mol.
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