4ZS
Summary
| Name: | N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide |
| Formula: | C26 H30 F N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 523.626 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide |
| OpenEye OEToolkits | 1.9.2 | N-[5-[3-[2-(cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methyl-imidazo[1,2-a]pyridin-2-yl]-2-fluoranyl-phenyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c4(c2n1c(cc(c(c1)C)CN(C)C)nc2c3cc(c(cc3)F)NS(=O)(=O)C)nc(ncc4)NCC5CC5 |
| InChI | InChI | 1.03 | InChI=1S/C26H30FN7O2S/c1-16-14-34-23(12-19(16)15-33(2)3)31-24(18-7-8-20(27)22(11-18)32-37(4,35)36)25(34)21-9-10-28-26(30-21)29-13-17-5-6-17/h7-12,14,17,32H,5-6,13,15H2,1-4H3,(H,28,29,30) |
| InChIKey | InChI | 1.03 | LDISLUXUWYPJIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1cc2nc(c3ccc(F)c(N[S](C)(=O)=O)c3)c(n2cc1C)c4ccnc(NCC5CC5)n4 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1cc2nc(c3ccc(F)c(N[S](C)(=O)=O)c3)c(n2cc1C)c4ccnc(NCC5CC5)n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F |
