A1LWW
Summary
| Name: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide |
| Formula: | C24 H19 F2 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 475.45 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34) |
| InChIKey | InChI | 1.06 | GKKSEORWFYILJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c2c(n1)cc(c(c2F)C#Cc3c(c(n(n3)Cc4cccc(c4)NC(=O)C=C)N)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c2c(n1)cc(c(c2F)C#Cc3c(c(n(n3)Cc4cccc(c4)NC(=O)C=C)N)C(=O)N)F |
