C115H114Cl5N29O5 — CID 162243601
5-(7-chloro-1H-indazol-5-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(3-methylimidazolidin-1-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine (PubChem CID 162243601) has the molecular formula C115H114Cl5N29O5 and a molecular weight of 2159.64 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(3-methylimidazolidin-1-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine.
| Compound Name | 5-(7-chloro-1H-indazol-5-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(3-methylimidazolidin-1-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine |
|---|---|
| PubChem CID | 162243601 |
| Molecular Formula | C115H114Cl5N29O5 |
| Molecular Weight | 2159.64 g/mol |
| Exact Mass | 2155.80 |
| IUPAC Name | 5-(7-chloro-1H-indazol-5-yl)-3-(cyclohexylmethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(2-cyclopentylethoxy)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylazetidin-3-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(3-methylimidazolidin-1-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazin-2-amine |
| SMILES | CN1CC(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCN(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCN1CCCC1 |
| InChI | InChI=1S/2C24H24ClN5O.C23H23ClN6O.C22H22ClN7O.C22H21ClN6O/c25-19-12-17(11-18-13-27-30-20(18)19)22-21(16-9-5-2-6-10-16)28-23(26)24(29-22)31-14-15-7-3-1-4-8-15;25-19-13-17(12-18-14-27-30-20(18)19)22-21(16-8-2-1-3-9-16)28-23(26)24(29-22)31-11-10-15-6-4-5-7-15;24-18-13-16(12-17-14-26-29-19(17)18)21-20(15-6-2-1-3-7-15)27-22(25)23(28-21)31-11-10-30-8-4-5-9-30;1-29-7-8-30(12-29)13-31-22-21(24)26-19(14-5-3-2-4-6-14)20(27-22)15-9-16-11-25-28-18(16)17(23)10-15;1-29-10-13(11-29)12-30-22-21(24)26-19(14-5-3-2-4-6-14)20(27-22)15-7-16-9-25-28-18(16)17(23)8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H2,26,28)(H,27,30);1-3,8-9,12-15H,4-7,10-11H2,(H2,26,28)(H,27,30);1-3,6-7,12-14H,4-5,8-11H2,(H2,25,27)(H,26,29);2-6,9-11H,7-8,12-13H2,1H3,(H2,24,26)(H,25,28);2-9,13H,10-12H2,1H3,(H2,24,26)(H,25,28) |
| InChIKey | ZXAMBBAHIPKHMX-UHFFFAOYSA-N |
| XLogP | 23.49 |
| TPSA | 461.51 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2159.64 |
| LogP ≤ 5 | 23.49 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |