N-cyclopentyl-1-{[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-cyclopentyl-1-{[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1445 |
| Compound Name: | N-cyclopentyl-1-{[(2S)-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | C1CCC(C1)NC(c1cn(C[C@@H]2CCCN2C(c2c3ccccc3ccn2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.237 |
| logD: | 2.237 |
| logSw: | -2.722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.464 |
| InChI Key: | ANUGNEWKQFPQEZ-SFHVURJKSA-N |