TL;DR: (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide (CAS 1173682-66-0) is a chemical compound with molecular formula C20H25N3O3 and molecular weight 355.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-cyclohexylpropanamide
Also Known As: (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide, 3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-cyclohexylpropanamide, N-cyclohexyl-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
| Molecular Formula | C20H25N3O3 |
| Molecular Weight | 355.1896 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.1896 Da |
| Heavy Atoms | 26 |
| Complexity | 573.0 |
| SMILES | C1CCC(CC1)NC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O |
| InChIKey | FFZADFYBIUXXJE-KRWDZBQOSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide. Following Lipinski's Rule of Five, (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is 1173682-66-0.
The molecular formula of (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is C20H25N3O3.
The molecular weight of (S)-N-cyclohexyl-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamide is 355.1896 g/mol.
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