C82H85BBr6ClF6N21O9 — CID 160956262
bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 160956262) has the molecular formula C82H85BBr6ClF6N21O9 and a molecular weight of 2148.40 g/mol. Its IUPAC name is bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.
| Compound Name | bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine |
|---|---|
| PubChem CID | 160956262 |
| Molecular Formula | C82H85BBr6ClF6N21O9 |
| Molecular Weight | 2148.40 g/mol |
| Exact Mass | 2141.16 |
| IUPAC Name | bis(4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholine);2-chloroacetaldehyde;6,8-dibromoimidazo[1,2-a]pyrazine;3,5-dibromopyrazin-2-amine;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine |
| SMILES | Brc1cn2ccnc2c(Br)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.Brc1cn2ccnc2c(N2CCOCC2)n1.C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Nc1ncc(Br)nc1Br.O=CCCl |
| InChI | InChI=1S/C25H22F3N5O2.C21H23BF3NO3.2C10H11BrN4O.C6H3Br2N3.C4H3Br2N3.C4H9NO.C2H3ClO/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*11-8-7-15-2-1-12-9(15)10(13-8)14-3-5-16-6-4-14;7-4-3-11-2-1-9-6(11)5(8)10-4;5-2-1-8-4(7)3(6)9-2;1-3-6-4-2-5-1;3-1-2-4/h2-8,13-15H,9-12H2,1H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*1-2,7H,3-6H2;1-3H;1H,(H2,7,8);5H,1-4H2;2H,1H2 |
| InChIKey | SWKTZYRQIYHQOD-UHFFFAOYSA-N |
| XLogP | 15.90 |
| TPSA | 324.96 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 126 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2148.40 |
| LogP ≤ 5 | 15.90 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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