C105H73Cl5N30O7 — CID 158524843
N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate (PubChem CID 158524843) has the molecular formula C105H73Cl5N30O7 and a molecular weight of 2044.21 g/mol. Its IUPAC name is N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate.
| Compound Name | N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate |
|---|---|
| PubChem CID | 158524843 |
| Molecular Formula | C105H73Cl5N30O7 |
| Molecular Weight | 2044.21 g/mol |
| Exact Mass | 2040.47 |
| IUPAC Name | N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate |
| SMILES | CC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.CCC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.COC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)CC1CCCC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)O |
| InChI | InChI=1S/C25H21ClN6O.C21H15ClN6O.C20H13ClN6O2.C20H13ClN6O.C19H11ClN6O2/c26-19-12-17(11-18-14-28-32-22(18)19)24-23(16-8-2-1-3-9-16)31-25(20(13-27)29-24)30-21(33)10-15-6-4-5-7-15;1-2-17(29)26-21-16(10-23)25-20(19(27-21)12-6-4-3-5-7-12)13-8-14-11-24-28-18(14)15(22)9-13;1-29-20(28)26-19-15(9-22)24-18(17(25-19)11-5-3-2-4-6-11)12-7-13-10-23-27-16(13)14(21)8-12;1-11(28)24-20-16(9-22)25-19(18(26-20)12-5-3-2-4-6-12)13-7-14-10-23-27-17(14)15(21)8-13;20-13-7-11(6-12-9-22-26-15(12)13)17-16(10-4-2-1-3-5-10)24-18(25-19(27)28)14(8-21)23-17/h1-3,8-9,11-12,14-15H,4-7,10H2,(H,28,32)(H,30,31,33);3-9,11H,2H2,1H3,(H,24,28)(H,26,27,29);2-8,10H,1H3,(H,23,27)(H,25,26,28);2-8,10H,1H3,(H,23,27)(H,24,26,28);1-7,9H,(H,22,26)(H,24,25)(H,27,28) |
| InChIKey | HMQZKADGJKQMCQ-UHFFFAOYSA-N |
| XLogP | 23.15 |
| TPSA | 566.21 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2044.21 |
| LogP ≤ 5 | 23.15 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 26 |