C131H152Br4F8KN25O26SSn — CID 165082213
potassium;2-[3-(5-amino-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;4-bromo-2-fluorobenzaldehyde;4-bromo-2-fluoro-5-nitrobenzaldehyde;6-bromo-5-nitro-1H-indazole;2-[3-(6-bromo-5-nitroindazol-2-yl)cyclobutyl]propan-2-ol;hydrazine;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyridin-2-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol;2-[3-(5-nitro-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;oxido nitrite;sulfuric acid;tributyl(pyridin-2-yl)stannane;6-(trifluoromethyl)pyridine-2-carboxylic acid;hydrate (PubChem CID 165082213) has the molecular formula C131H152Br4F8KN25O26SSn and a molecular weight of 3154.28 g/mol. Its IUPAC name is potassium;2-[3-(5-amino-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;4-bromo-2-fluorobenzaldehyde;4-bromo-2-fluoro-5-nitrobenzaldehyde;6-bromo-5-nitro-1H-indazole;2-[3-(6-bromo-5-nitroindazol-2-yl)cyclobutyl]propan-2-ol;hydrazine;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyridin-2-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol;2-[3-(5-nitro-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;oxido nitrite;sulfuric acid;tributyl(pyridin-2-yl)stannane;6-(trifluoromethyl)pyridine-2-carboxylic acid;hydrate.
| Compound Name | potassium;2-[3-(5-amino-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;4-bromo-2-fluorobenzaldehyde;4-bromo-2-fluoro-5-nitrobenzaldehyde;6-bromo-5-nitro-1H-indazole;2-[3-(6-bromo-5-nitroindazol-2-yl)cyclobutyl]propan-2-ol;hydrazine;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyridin-2-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol;2-[3-(5-nitro-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;oxido nitrite;sulfuric acid;tributyl(pyridin-2-yl)stannane;6-(trifluoromethyl)pyridine-2-carboxylic acid;hydrate |
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| PubChem CID | 165082213 |
| Molecular Formula | C131H152Br4F8KN25O26SSn |
| Molecular Weight | 3154.28 g/mol |
| Exact Mass | 3149.63 |
| IUPAC Name | potassium;2-[3-(5-amino-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;4-bromo-2-fluorobenzaldehyde;4-bromo-2-fluoro-5-nitrobenzaldehyde;6-bromo-5-nitro-1H-indazole;2-[3-(6-bromo-5-nitroindazol-2-yl)cyclobutyl]propan-2-ol;hydrazine;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyridin-2-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-methylcyclobutyl)propan-2-ol;2-[3-(5-nitro-6-pyridin-2-ylindazol-2-yl)cyclobutyl]propan-2-ol;oxido nitrite;sulfuric acid;tributyl(pyridin-2-yl)stannane;6-(trifluoromethyl)pyridine-2-carboxylic acid;hydrate |
| SMILES | CC(C)(O)C1CC(n2cc3cc(N)c(-c4ccccn4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-c4ccccn4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc([N+](=O)[O-])c(-c4ccccn4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc([N+](=O)[O-])c(Br)cc3n2)C1.CC1CC(C(C)(C)O)C1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.NN.O.O=C(O)c1cccc(C(F)(F)F)n1.O=Cc1cc([N+](=O)[O-])c(Br)cc1F.O=Cc1ccc(Br)cc1F.O=NO[O-].O=S(=O)(O)O.O=[N+]([O-])c1cc2cn[nH]c2cc1Br.[K+] |
| InChI | InChI=1S/C26H24F3N5O2.C19H20N4O3.C19H22N4O.C14H16BrN3O3.C8H16O.C7H3BrFNO3.C7H4BrFO.C7H4BrN3O2.C7H4F3NO2.C5H4N.3C4H9.K.H4N2.HNO3.H2O4S.H2O.Sn/c1-25(2,36)16-11-17(12-16)34-14-15-10-22(18(13-21(15)33-34)19-6-3-4-9-30-19)32-24(35)20-7-5-8-23(31-20)26(27,28)29;1-19(2,24)13-8-14(9-13)22-11-12-7-18(23(25)26)15(10-17(12)21-22)16-5-3-4-6-20-16;1-19(2,24)13-8-14(9-13)23-11-12-7-16(20)15(10-18(12)22-23)17-5-3-4-6-21-17;1-14(2,19)9-4-10(5-9)17-7-8-3-13(18(20)21)11(15)6-12(8)16-17;1-6-4-7(5-6)8(2,3)9;8-5-2-6(9)4(3-11)1-7(5)10(12)13;8-6-2-1-5(4-10)7(9)3-6;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;8-7(9,10)5-3-1-2-4(11-5)6(12)13;1-2-4-6-5-3-1;3*1-3-4-2;;1-2;2-1-4-3;1-5(2,3)4;;/h3-10,13-14,16-17,36H,11-12H2,1-2H3,(H,32,35);3-7,10-11,13-14,24H,8-9H2,1-2H3;3-7,10-11,13-14,24H,8-9,20H2,1-2H3;3,6-7,9-10,19H,4-5H2,1-2H3;6-7,9H,4-5H2,1-3H3;1-3H;1-4H;1-3H,(H,9,10);1-3H,(H,12,13);1-4H;3*1,3-4H2,2H3;;1-2H2;3H;(H2,1,2,3,4);1H2;/q;;;;;;;;;;;;;+1;;;;;/p-1 |
| InChIKey | SUFASBMULZQJBP-UHFFFAOYSA-M |
| XLogP | 25.03 |
| TPSA | 797.43 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3154.28 |
| LogP ≤ 5 | 25.03 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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