D4Q
Summary
| Name: | 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide |
| Formula: | C19 H19 F N4 O S |
| Formal charge: | 0 |
| Formula weight: | 370.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19FN4OS/c20-12-4-1-3-11(7-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-5-2-6-22-9-13/h1,3-4,7-8,10,13,22H,2,5-6,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | YTDCGNUVVIXLSO-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4cccc(F)c4 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cnc(N[CH]2CCCNC2)c3cc(sc13)c4cccc(F)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)c2cc3c(s2)c(cnc3NC4CCCNC4)C(=O)N |
