QAN
Summary
| Name: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide |
| Formula: | C26 H33 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 463.572 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1 |
| InChIKey | InChI | 1.03 | NDEORODKVUYMFQ-NHCUHLMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@H](Nc2ncc(c3occc3)c4C=C(C)C(=O)Nc24)[C@@H](C1)C(=O)NC5CCCCC5 |
| SMILES | CACTVS | 3.385 | CN1CC[CH](Nc2ncc(c3occc3)c4C=C(C)C(=O)Nc24)[CH](C1)C(=O)NC5CCCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3C(=O)NC4CCCCC4)C)c5ccco5 |
