TL;DR: 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 477238-81-6) is a chemical compound with molecular formula C28H24FN5 and molecular weight 449.20157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(2-fluorophenyl)piperazin-1-yl]-5,7-diphenylpyrrolo[2,3-d]pyrimidine
Also Known As: SDCCGSBI-0659309.P001, 1-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-4-(2-fluorophenyl)piperazine, F0532-0997, 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine, 4-[4-(2-fluorophenyl)piperazin-1-yl]-5,7-diphenylpyrrolo[2,3-d]pyrimidine
| Molecular Formula | C28H24FN5 |
| Molecular Weight | 449.20157 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 37.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.20157 Da |
| Heavy Atoms | 34 |
| Complexity | 643.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2F)C3=NC=NC4=C3C(=CN4C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | PIZSBMZHAZVOCX-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.2 Ų, 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine is 477238-81-6.
The molecular formula of 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine is C28H24FN5.
The molecular weight of 4-(4-(2-fluorophenyl)piperazin-1-yl)-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine is 449.20157 g/mol.
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