4OI
Summary
| Name: | (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide |
| Formula: | C12 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 228.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4O/c17-12(16-9-6-14-15-7-9)11-4-10(11)8-2-1-3-13-5-8/h1-3,5-7,10-11H,4H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | ONPYJJLGIGTZEH-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1c[nH]nc1)[C@@H]2C[C@H]2c3cccnc3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1c[nH]nc1)[CH]2C[CH]2c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2CC2C(=O)Nc3c[nH]nc3 |
