TL;DR: (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CAS 1212210-07-5) is a chemical compound with molecular formula C16H13N5O2 and molecular weight 307.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
Also Known As: (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile, (S)-6'-amino-1,3'-dimethyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
| Molecular Formula | C16H13N5O2 |
| Molecular Weight | 307.10693 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.10693 Da |
| Heavy Atoms | 23 |
| Complexity | 638.0 |
| SMILES | CC1=C2C(=NN1)OC(=C([C@]23C4=CC=CC=C4N(C3=O)C)C#N)N |
| InChIKey | RXQWFVLFADSNFE-MRXNPFEDSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile. Following Lipinski's Rule of Five, (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is 1212210-07-5.
The molecular formula of (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is C16H13N5O2.
The molecular weight of (4R)-6-amino-1',3-dimethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is 307.10693 g/mol.
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