RJZ
4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Created: | 2020-09-30 |
Last modified: | 2021-05-26 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 0 |
Bond Count | 49 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
---|---|
Name | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
Systematic Name (OpenEye OEToolkits) | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
Formula | C19 H18 Br N7 O |
Molecular Weight | 440.297 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N |
Canonical SMILES | CACTVS | 3.385 | Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N |
InChI | InChI | 1.03 | InChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26) |
InChIKey | InChI | 1.03 | IOUKAQLHORTKRT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 135335953 |