A1LZZ
Summary
| Name: | (4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide |
| Formula: | C26 H37 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 479.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R},6~{S})-~{N}-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H37N7O2/c1-30-11-9-19(25(34)27-20-7-5-4-6-8-20)13-18(14-30)15-33-17-22-24(29-33)21(16-31(2)26(22)35)23-10-12-32(3)28-23/h10,12,16-20H,4-9,11,13-15H2,1-3H3,(H,27,34)/t18-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | DFZFJCROMQNFGV-OALUTQOASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@H](C[C@@H](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5 |
| SMILES | CACTVS | 3.385 | CN1CC[CH](C[CH](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)C[C@H]4C[C@H](CCN(C4)C)C(=O)NC5CCCCC5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CC(CCN(C4)C)C(=O)NC5CCCCC5)C |
