9MA
2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
Created: | 2017-05-19 |
Last modified: | 2017-07-05 |
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 | 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine |
Systematic Name (OpenEye OEToolkits) | 2-[2,6-bis(fluoranyl)phenyl]-~{N}-(2,6-dimethylphenyl)-5-methyl-imidazo[1,2-a]pyridin-3-amine |
Formula | C22 H19 F2 N3 |
Molecular Weight | 363.403 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c3n1c(cccc1C)nc3c2c(F)cccc2F)c4c(C)cccc4C |
SMILES | CACTVS | 3.385 | Cc1cccc2nc(c(Nc3c(C)cccc3C)n12)c4c(F)cccc4F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C |
Canonical SMILES | CACTVS | 3.385 | Cc1cccc2nc(c(Nc3c(C)cccc3C)n12)c4c(F)cccc4F |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C |
InChI | InChI | 1.03 | InChI=1S/C22H19F2N3/c1-13-7-4-8-14(2)20(13)26-22-21(19-16(23)10-6-11-17(19)24)25-18-12-5-9-15(3)27(18)22/h4-12,26H,1-3H3 |
InChIKey | InChI | 1.03 | RBMQZHVGMQCJOU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 59579045 |