TL;DR: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole (CAS 155088-77-0) is a chemical compound with molecular formula C22H22FN5O2 and molecular weight 407.17575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole
Also Known As: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole, 4-[4-[4-Fluorophenyl]piperazino]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole, 1-{7,8-DIMETHOXY-5H-PYRIMIDO[5,4-B]INDOL-4-YL}-4-(4-FLUOROPHENYL)PIPERAZINE, 4-(4-(4-fluorophenyl)piperazin-1-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole
| Molecular Formula | C22H22FN5O2 |
| Molecular Weight | 407.17575 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.17575 Da |
| Heavy Atoms | 30 |
| Complexity | 570.0 |
| SMILES | COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)OC |
| InChIKey | CUGMNGKSNIQURW-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole has 1 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 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is 155088-77-0.
The molecular formula of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is C22H22FN5O2.
The molecular weight of 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole is 407.17575 g/mol.
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