WZZ
Summary
| Name: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate |
| Formula: | C17 H23 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 329.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},3~{S})-3-[3-(pyridin-2-ylamino)-1~{H}-pyrazol-5-yl]cyclopentyl] ~{N}-propan-2-ylcarbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)NC(=O)OC1CCC(C1)c1cc(Nc2ncccc2)n[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C17H23N5O2/c1-11(2)19-17(23)24-13-7-6-12(9-13)14-10-16(22-21-14)20-15-5-3-4-8-18-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,19,23)(H2,18,20,21,22)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | RNCRMJAZEFHCPK-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c2[nH]nc(Nc3ccccn3)c2 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)O[CH]1CC[CH](C1)c2[nH]nc(Nc3ccccn3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c2cc(n[nH]2)Nc3ccccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)OC1CCC(C1)c2cc(n[nH]2)Nc3ccccn3 |
