Y56
Summary
| Name: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
| Formula: | C34 H36 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 588.702 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
| OpenEye OEToolkits | 2.0.7 | 4-(dimethylamino)-~{N}-[4-[(3~{S})-3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]carbonylphenyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | HDSKLOGUAXMLMX-MHZLTWQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CC[C@@H](C2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6 |
| SMILES | CACTVS | 3.385 | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CC[CH](C2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CC[C@@H](C2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC(C2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6 |
