A1CUL
(7S)-6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
| Created: | 2025-09-18 |
| Last modified: | 2026-02-18 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 25 |
| Chiral Atom Count | 1 |
| Bond Count | 27 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | (7S)-6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one |
| Systematic Name (OpenEye OEToolkits) | (7~{S})-6-(5-chloranylpyridin-2-yl)-7-oxidanyl-7~{H}-pyrrolo[3,4-b]pyrazin-5-one |
| Formula | C11 H7 Cl N4 O2 |
| Molecular Weight | 262.652 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(nc1)N1C(=O)c2nccnc2C1O |
| SMILES | CACTVS | 3.385 | O[CH]1N(c2ccc(Cl)cn2)C(=O)c3nccnc13 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)O |
| Canonical SMILES | CACTVS | 3.385 | O[C@@H]1N(c2ccc(Cl)cn2)C(=O)c3nccnc13 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1Cl)N2[C@H](c3c(nccn3)C2=O)O |
| InChI | InChI | 1.06 | InChI=1S/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | FUUXOEKDNNWZTR-JTQLQIEISA-N |
