6'-amino-1-benzyl-3'-(propan-2-yl)-1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Chemical Structure Depiction of
6'-amino-1-benzyl-3'-(propan-2-yl)-1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
6'-amino-1-benzyl-3'-(propan-2-yl)-1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Compound characteristics
| Compound ID: | 8012-0111 |
| Compound Name: | 6'-amino-1-benzyl-3'-(propan-2-yl)-1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C21 H25 N5 O |
| Smiles: | CC(C)c1c2c([nH]n1)OC(=C(C#N)C21CCN(CC1)Cc1ccccc1)N |
| Stereo: | ACHIRAL |
| logP: | 2.8888 |
| logD: | 2.3677 |
| logSw: | -3.3474 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.477 |
| InChI Key: | YVGRIPYLOKTUSJ-UHFFFAOYSA-N |