C113H157N35O — CID 160596680
2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine (PubChem CID 160596680) has the molecular formula C113H157N35O and a molecular weight of 2021.74 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine.
| Compound Name | 2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine |
|---|---|
| PubChem CID | 160596680 |
| Molecular Formula | C113H157N35O |
| Molecular Weight | 2021.74 g/mol |
| Exact Mass | 2020.33 |
| IUPAC Name | 2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine |
| SMILES | CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC(C)c1cnc(N2CCOCC2)cn1.CC1CCN(c2cnc(C(C)C)cn2)CC1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1 |
| InChI | InChI=1S/2C13H21N3.C12H19N3.3C11H14N4.C11H17N3O.C11H13N3.2C10H12N4/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-9(2)10-7-13-11(8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14/h2*8-11H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;3*4-8H,1-3H3;7-9H,3-6H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3 |
| InChIKey | RDSMHDLOCHKMAG-UHFFFAOYSA-N |
| XLogP | 22.09 |
| TPSA | 374.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2021.74 |
| LogP ≤ 5 | 22.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |