86H
Summary
| Name: | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide |
| Formula: | C23 H20 Cl2 N6 O3 S |
| Formal charge: | 0 |
| Formula weight: | 531.414 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | UKMBVWVIQHGQEM-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1Cl)[S](=O)(=O)Nc2ccc(cc2)c3cc(C(=O)N[C@@H]4CCNC4)c5c[nH]nc5n3 |
| SMILES | CACTVS | 3.385 | Clc1cccc(c1Cl)[S](=O)(=O)Nc2ccc(cc2)c3cc(C(=O)N[CH]4CCNC4)c5c[nH]nc5n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)NC5CCNC5 |
