TL;DR: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester (CAS 147297-04-9) is a chemical compound with molecular formula C30H32ClN5O4 and molecular weight 561.2143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
Also Known As: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester, ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate, Pyrido[2,3-d]pyrimidine-5-carboxylicacid,1-[3-[4-(2-chlorophenyl)-1-piperazinyl]propyl]-1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-,ethyl ester, 1-[3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl]-7-methyl-3-phenyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester, Ethyl 1-{3-[4-(2-chlorophenyl)piperazin-1-yl]propyl}-7-methyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
| Molecular Formula | C30H32ClN5O4 |
| Molecular Weight | 561.2143 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.2143 Da |
| Heavy Atoms | 40 |
| Complexity | 893.0 |
| SMILES | CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5Cl |
| InChIKey | YVGOKISJIUOQGY-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester. Following Lipinski's Rule of Five, Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester is 147297-04-9.
The molecular formula of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester is C30H32ClN5O4.
The molecular weight of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester is 561.2143 g/mol.
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