U9P
Summary
| Name: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
| Formula: | C23 H26 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 446.505 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-5-[5-[[(3~{S})-oxolan-3-yl]amino]-6-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC |
| InChI | InChI | 1.06 | InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | XGJBIMKIGAOMPJ-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cncc(c1)c2cnn3cc(c(N[C@H]4CCOC4)nc23)c5ccn(n5)C(C)C |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cncc(c1)c2cnn3cc(c(N[CH]4CCOC4)nc23)c5ccn(n5)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1ccc(n1)c2cn3c(c(cn3)c4cc(cnc4)C(=O)NC)nc2N[C@H]5CCOC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1ccc(n1)c2cn3c(c(cn3)c4cc(cnc4)C(=O)NC)nc2NC5CCOC5 |
