C113H88Cl5FN30O2 — CID 158064971
4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine (PubChem CID 158064971) has the molecular formula C113H88Cl5FN30O2 and a molecular weight of 2094.42 g/mol. Its IUPAC name is 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine.
| Compound Name | 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine |
|---|---|
| PubChem CID | 158064971 |
| Molecular Formula | C113H88Cl5FN30O2 |
| Molecular Weight | 2094.42 g/mol |
| Exact Mass | 2090.61 |
| IUPAC Name | 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine |
| SMILES | CC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1.N#Cc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1ccc(F)cc1 |
| InChI | InChI=1S/C25H22ClN7.C25H18ClN7.C24H18ClFN6.C20H16ClN5O.C19H14ClN5O/c1-2-19-9-8-15(12-28-19)13-29-25-24(27)31-22(16-6-4-3-5-7-16)23(32-25)17-10-18-14-30-33-21(18)20(26)11-17;26-20-11-18(10-19-14-30-33-21(19)20)23-22(17-4-2-1-3-5-17)31-24(28)25(32-23)29-13-16-8-6-15(12-27)7-9-16;25-19-11-16(10-17-13-29-32-20(17)19)22-21(15-4-2-1-3-5-15)30-23(27)24(31-22)28-12-14-6-8-18(26)9-7-14;1-2-15(27)19-20(22)25-17(11-6-4-3-5-7-11)18(24-19)12-8-13-10-23-26-16(13)14(21)9-12;1-10(26)15-19(21)24-17(11-5-3-2-4-6-11)18(23-15)12-7-13-9-22-25-16(13)14(20)8-12/h3-12,14H,2,13H2,1H3,(H2,27,31)(H,29,32)(H,30,33);1-11,14H,13H2,(H2,28,31)(H,29,32)(H,30,33);1-11,13H,12H2,(H2,27,30)(H,28,31)(H,29,32);3-10H,2H2,1H3,(H2,22,25)(H,23,26);2-9H,1H3,(H2,21,24)(H,22,25) |
| InChIKey | FLCOEPMLUDJEJT-UHFFFAOYSA-N |
| XLogP | 25.21 |
| TPSA | 509.31 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2094.42 |
| LogP ≤ 5 | 25.21 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 27 |