QK5
(3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
Find entries where: QK5
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile |
| Identifiers | 2-[3-[(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl]-2-methyl-pyrrolo[2,3-b]pyridin-1-yl]ethanenitrile |
| Formula | C27 H24 N6 S |
| Molecular Weight | 464.585 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5 |
| InChI | InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3/t20-/m0/s1 |
| InChIKey | OZRJTNXVIRAQAD-FQEVSTJZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 58 |
| Chiral Atom Count | 1 |
| Bond Count | 63 |
| Aromatic Bond Count | 27 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 51000424 |
