A1H4H
Summary
| Name: | (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine |
| Formula: | C21 H22 Cl N7 |
| Formal charge: | 0 |
| Formula weight: | 407.899 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},5~{S})-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5~{H}-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H22ClN7/c1-28-10-16-17(27-28)5-4-14(19(16)22)15-8-25-21-20(15)24-9-18(26-21)29-12-2-3-13(29)7-11(23)6-12/h4-5,8-13H,2-3,6-7,23H2,1H3,(H,25,26)/t11-,12+,13- |
| InChIKey | InChI | 1.06 | XRNTZAQBJAFMBB-CLLJXQQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc2c(Cl)c(ccc2n1)c3c[nH]c4nc(cnc34)N5[C@@H]6CC[C@H]5C[C@@H](N)C6 |
| SMILES | CACTVS | 3.385 | Cn1cc2c(Cl)c(ccc2n1)c3c[nH]c4nc(cnc34)N5[CH]6CC[CH]5C[CH](N)C6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc2c(n1)ccc(c2Cl)c3c[nH]c4c3ncc(n4)N5[C@@H]6CC[C@H]5CC(C6)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc2c(n1)ccc(c2Cl)c3c[nH]c4c3ncc(n4)N5C6CCC5CC(C6)N |
