A1ITA
Summary
| Name: | 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide |
| Formula: | C23 H25 N9 O2 |
| Formal charge: | 0 |
| Formula weight: | 459.504 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H25N9O2/c1-25-22-19(16-11-26-12-17-18(16)27-13-31(17)2)29-20(21(24)33)23(30-22)28-14-3-5-15(6-4-14)32-7-9-34-10-8-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,33)(H2,25,28,30) |
| InChIKey | InChI | 1.06 | LHHRWQSZVGBCHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Nc2ccc(cc2)N3CCOCC3)c(nc1c4cncc5n(C)cnc45)C(N)=O |
| SMILES | CACTVS | 3.385 | CNc1nc(Nc2ccc(cc2)N3CCOCC3)c(nc1c4cncc5n(C)cnc45)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c(nc(c(n1)Nc2ccc(cc2)N3CCOCC3)C(=O)N)c4cncc5c4ncn5C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c(nc(c(n1)Nc2ccc(cc2)N3CCOCC3)C(=O)N)c4cncc5c4ncn5C |
