TL;DR: (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate (CAS 1212169-84-0) is a chemical compound with molecular formula C20H20N4O6 and molecular weight 412.13828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (4S)-6-amino-1'-(2-methoxy-2-oxoethyl)-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
Also Known As: (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate, ethyl (4S)-6-amino-1'-(2-methoxy-2-oxoethyl)-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
| Molecular Formula | C20H20N4O6 |
| Molecular Weight | 412.13828 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.13828 Da |
| Heavy Atoms | 30 |
| Complexity | 785.0 |
| SMILES | CCOC(=O)C1=C(OC2=NNC(=C2[C@@]13C4=CC=CC=C4N(C3=O)CC(=O)OC)C)N |
| InChIKey | LEFXKSQOCJVYPM-FQEVSTJZSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate. Following Lipinski's Rule of Five, (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate is 1212169-84-0.
The molecular formula of (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate is C20H20N4O6.
The molecular weight of (S)-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate is 412.13828 g/mol.
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