S92
Summary
| Name: | 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C24 H26 N10 O |
| Formal charge: | 0 |
| Formula weight: | 470.53 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(cyclopropylamino)-5-[5-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1-(2-piperidin-1-ylethyl)-1,2,3-triazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H26N10O/c25-13-17-15-27-34-20(28-18-5-6-18)12-19(29-24(17)34)22-23(16-4-7-21(35)26-14-16)33(31-30-22)11-10-32-8-2-1-3-9-32/h4,7,12,14-15,18,28H,1-3,5-6,8-11H2,(H,26,35) |
| InChIKey | InChI | 1.03 | DSBYVYTVSKXJPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(C=C1)c2n(CCN3CCCCC3)nnc2c4cc(NC5CC5)n6ncc(C#N)c6n4 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(C=C1)c2n(CCN3CCCCC3)nnc2c4cc(NC5CC5)n6ncc(C#N)c6n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6 |
