E56
Summary
| Name: | 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile |
| Formula: | C21 H18 Cl N7 |
| Formal charge: | 0 |
| Formula weight: | 403.868 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-[6-chloranyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]-1~{H}-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H18ClN7/c22-18-8-19-17(7-20(18)26-15-4-5-24-11-15)21(28-27-19)14-10-25-29(12-14)16-3-1-2-13(6-16)9-23/h1-3,6-8,10,12,15,24,26H,4-5,11H2,(H,27,28)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | GLHJKYCHVYCTAN-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]nc(c3cnn(c3)c4cccc(c4)C#N)c2cc1N[C@@H]5CCNC5 |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]nc(c3cnn(c3)c4cccc(c4)C#N)c2cc1N[CH]5CCNC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)NC5CCNC5)C#N |
