TL;DR: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CAS 1004433-11-7) is a chemical compound with molecular formula C16H14N4O3 and molecular weight 310.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
Also Known As: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate|MLS001157264|CHEMBL1703177|SMR000708218|Z17974332
| Molecular Formula | C16H14N4O3 |
| Molecular Weight | 310.1066 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.1066 Da |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=NC=CN=C3N |
| InChIKey | DUORSTIIWVZQIL-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate. Following Lipinski's Rule of Five, [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate has 2 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 [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is 1004433-11-7.
The molecular formula of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is C16H14N4O3.
The molecular weight of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is 310.1066 g/mol.
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