A1A1C
Summary
| Name: | 6-(dimethylamino)-4-[(methylamino)methyl]-2-[6-(4-propyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one |
| Formula: | C21 H26 N8 O |
| Formal charge: | 0 |
| Formula weight: | 406.484 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(dimethylamino)-4-[(methylamino)methyl]-2-[6-(4-propyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one |
| OpenEye OEToolkits | 2.0.7 | 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)pyridin-2-yl]-3~{H}-pyrrolo[3,4-c]pyridin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCn1cnnc1c1cccc(n1)N1Cc2c(cc(nc2CNC)N(C)C)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C21H26N8O/c1-5-9-28-13-23-26-20(28)16-7-6-8-18(24-16)29-12-15-14(21(29)30)10-19(27(3)4)25-17(15)11-22-2/h6-8,10,13,22H,5,9,11-12H2,1-4H3 |
| InChIKey | InChI | 1.06 | XVKPIWUWUZOHIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cnnc1c2cccc(n2)N3Cc4c(CNC)nc(cc4C3=O)N(C)C |
| SMILES | CACTVS | 3.385 | CCCn1cnnc1c2cccc(n2)N3Cc4c(CNC)nc(cc4C3=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1cnnc1c2cccc(n2)N3Cc4c(cc(nc4CNC)N(C)C)C3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1cnnc1c2cccc(n2)N3Cc4c(cc(nc4CNC)N(C)C)C3=O |
