7IK
Summary
| Name: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
| Formula: | C14 H22 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
| OpenEye OEToolkits | 2.0.7 | (7~{R})-2-[(3~{R})-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C |
| InChI | InChI | 1.03 | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | CYPSSQPWVAKPSS-PWSUYJOCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1CNC(=O)c2cc(nn12)N3CCOC[C@H]3C |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1CNC(=O)c2cc(nn12)N3CCOC[CH]3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc3n(n2)C(CNC3=O)C(C)C |
