TL;DR: (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide (CAS 1214633-25-6) is a chemical compound with molecular formula C22H22FN3O2 and molecular weight 379.16962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,8S)-N-(4-fluorophenyl)-5'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
Also Known As: (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide, (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide, (2S,3R,8S)-N-(4-fluorophenyl)-5'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
| Molecular Formula | C22H22FN3O2 |
| Molecular Weight | 379.16962 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.16962 Da |
| Heavy Atoms | 28 |
| Complexity | 650.0 |
| SMILES | CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H](C[C@H]4N3CCC4)C(=O)NC5=CC=C(C=C5)F |
| InChIKey | HMWRHXHEXYTHQM-CECAUBDESA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide. Following Lipinski's Rule of Five, (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is 1214633-25-6.
The molecular formula of (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is C22H22FN3O2.
The molecular weight of (2'S,3R,7a'S)-N-(4-fluorophenyl)-5-methyl-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is 379.16962 g/mol.
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