84M
Summary
| Name: | N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide |
| Formula: | C16 H13 N7 O S |
| Formal charge: | 0 |
| Formula weight: | 351.386 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c15n(c(nn1)Sc4ccc2n(cc(n2)NC(=O)C3CC3)n4)cccc5 |
| InChI | InChI | 1.03 | InChI=1S/C16H13N7OS/c24-15(10-4-5-10)18-11-9-23-12(17-11)6-7-14(21-23)25-16-20-19-13-3-1-2-8-22(13)16/h1-3,6-10H,4-5H2,(H,18,24) |
| InChIKey | InChI | 1.03 | ALNWINGRKKGNMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5 |
