A1IZ3
Summary
| Name: | 5-[2,4-bis(fluoranyl)phenoxy]-2-(cyclohexylmethyl)-~{N}-[2-[(3~{R})-3-(methoxymethyl)piperidin-1-yl]ethyl]indazole-6-carboxamide |
| Synonyms: | 2-(cyclohexylmethyl)-5-(2,4-difluorophenoxy)-N-(2-(3-(methoxymethyl)piperidin-1-yl)ethyl)-2H-indazole-6-carboxamide |
| Formula: | C30 H38 F2 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 540.645 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2,4-bis(fluoranyl)phenoxy]-2-(cyclohexylmethyl)-~{N}-[2-[(3~{R})-3-(methoxymethyl)piperidin-1-yl]ethyl]indazole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H38F2N4O3/c1-38-20-22-8-5-12-35(17-22)13-11-33-30(37)25-16-27-23(19-36(34-27)18-21-6-3-2-4-7-21)14-29(25)39-28-10-9-24(31)15-26(28)32/h9-10,14-16,19,21-22H,2-8,11-13,17-18,20H2,1H3,(H,33,37) |
| InChIKey | InChI | 1.06 | OJJHRKPNNTZEQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@@H]1CCCN(CCNC(=O)c2cc3nn(CC4CCCCC4)cc3cc2Oc5ccc(F)cc5F)C1 |
| SMILES | CACTVS | 3.385 | COC[CH]1CCCN(CCNC(=O)c2cc3nn(CC4CCCCC4)cc3cc2Oc5ccc(F)cc5F)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC[C@@H]1CCCN(C1)CCNC(=O)c2cc3c(cc2Oc4ccc(cc4F)F)cn(n3)CC5CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCC1CCCN(C1)CCNC(=O)c2cc3c(cc2Oc4ccc(cc4F)F)cn(n3)CC5CCCCC5 |
