7VV
Summary
| Name: | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine |
| Formula: | C18 H24 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 317.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine |
| OpenEye OEToolkits | 2.0.6 | (6~{S})-6-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(cc(CC2CCc1c(C(C)C)nc(n1C2)N)c(c3)F)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H24FN3O/c1-11(2)17-16-7-4-12(10-22(16)18(20)21-17)8-13-9-14(23-3)5-6-15(13)19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H2,20,21)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | XJHGXEWMRNPZQE-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(F)c(C[C@@H]2CCc3n(C2)c(N)nc3C(C)C)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(F)c(C[CH]2CCc3n(C2)c(N)nc3C(C)C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1c2n(c(n1)N)CC(CC2)Cc3cc(ccc3F)OC |
