6XX
Summary
| Name: | 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one |
| Formula: | C28 H35 F2 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 527.606 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 8-[[(3~{R},4~{R},5~{S})-3-[[4,4-bis(fluoranyl)cyclohexyl]methoxy]-5-methoxy-piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-1,7-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1 |
| InChIKey | InChI | 1.03 | YDPMMWAOCCOULO-JBRSBNLGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc3ncc(c4cncc(C)c4)c5C=C(C)C(=O)Nc35 |
| SMILES | CACTVS | 3.385 | CO[CH]1CNC[CH](OCC2CCC(F)(F)CC2)[CH]1Nc3ncc(c4cncc(C)c4)c5C=C(C)C(=O)Nc35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)NC4C(CNCC4OCC5CCC(CC5)(F)F)OC |
