C96H68F17N25O4 — CID 161487243
N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenol (PubChem CID 161487243) has the molecular formula C96H68F17N25O4 and a molecular weight of 1958.74 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenol.
| Compound Name | N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenol |
|---|---|
| PubChem CID | 161487243 |
| Molecular Formula | C96H68F17N25O4 |
| Molecular Weight | 1958.74 g/mol |
| Exact Mass | 1957.56 |
| IUPAC Name | N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenol |
| SMILES | Cc1nc2cc(F)ccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)ccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2cc(F)ccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(C(N)=O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1 |
| InChI | InChI=1S/C21H16F3N5O.C19H13F4N5O.C19H13F4N5.C19H14F3N5O.C18H12F3N5O/c1-12-26-16-4-2-3-5-17(16)29(12)19-11-13(20(25)30)10-18(28-19)27-15-8-6-14(7-9-15)21(22,23)24;1-11-25-15-8-12(20)2-7-16(15)28(11)18-10-24-9-17(27-18)26-13-3-5-14(6-4-13)29-19(21,22)23;1-11-25-15-8-13(20)4-7-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23;1-11-24-15-8-12(20)2-7-16(15)27(11)18-10-23-9-17(26-18)25-13-3-5-14(6-4-13)28-19(21)22;19-18(20,21)17-16(26-8-2-1-3-15(26)25-17)13-9-22-10-14(24-13)23-11-4-6-12(27)7-5-11/h2-11H,1H3,(H2,25,30)(H,27,28);2-10H,1H3,(H,26,27);2-10H,1H3,(H,26,27);2-10,19H,1H3,(H,25,26);1-10,27H,(H,23,24) |
| InChIKey | WFDBYFQMMVLCNZ-UHFFFAOYSA-N |
| XLogP | 23.39 |
| TPSA | 346.52 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1958.74 |
| LogP ≤ 5 | 23.39 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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