TL;DR: (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide (CAS 1212424-49-1) is a chemical compound with molecular formula C17H14N6O3 and molecular weight 350.11273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4R)-6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetamide
Also Known As: (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide, 2-[(4R)-6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetamide
| Molecular Formula | C17H14N6O3 |
| Molecular Weight | 350.11273 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.11273 Da |
| Heavy Atoms | 26 |
| Complexity | 742.0 |
| SMILES | CC1=C2C(=NN1)OC(=C([C@]23C4=CC=CC=C4N(C3=O)CC(=O)N)C#N)N |
| InChIKey | JNOCXBJZRYSWHW-QGZVFWFLSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide. The TPSA of 151.0 Ų indicates high polarity, suggesting (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide has 3 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 (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide is 1212424-49-1.
The molecular formula of (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide is C17H14N6O3.
The molecular weight of (S)-2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetamide is 350.11273 g/mol.
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