C121H156Br4Cl3F2K2LiN22O28Sn — CID 159533309
lithium;dipotassium;2-(6-acetyl-3-carbamoylindazol-1-yl)acetic acid;6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;6-acetyl-1-(2-oxopropyl)indazole-3-carboxamide;azane;6-bromo-1H-indazole-3-carboxamide;5-bromo-3H-isoindole-1-carboxylic acid;6-bromo-1-(2-oxopropyl)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;ethyl 2-bromoacetate;hydride;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxido formate;tributyl(1-ethoxyethenyl)stannane;hydroxide;hydrate (PubChem CID 159533309) has the molecular formula C121H156Br4Cl3F2K2LiN22O28Sn and a molecular weight of 3034.52 g/mol. Its IUPAC name is lithium;dipotassium;2-(6-acetyl-3-carbamoylindazol-1-yl)acetic acid;6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;6-acetyl-1-(2-oxopropyl)indazole-3-carboxamide;azane;6-bromo-1H-indazole-3-carboxamide;5-bromo-3H-isoindole-1-carboxylic acid;6-bromo-1-(2-oxopropyl)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;ethyl 2-bromoacetate;hydride;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxido formate;tributyl(1-ethoxyethenyl)stannane;hydroxide;hydrate.
| Compound Name | lithium;dipotassium;2-(6-acetyl-3-carbamoylindazol-1-yl)acetic acid;6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;6-acetyl-1-(2-oxopropyl)indazole-3-carboxamide;azane;6-bromo-1H-indazole-3-carboxamide;5-bromo-3H-isoindole-1-carboxylic acid;6-bromo-1-(2-oxopropyl)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;ethyl 2-bromoacetate;hydride;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxido formate;tributyl(1-ethoxyethenyl)stannane;hydroxide;hydrate |
|---|---|
| PubChem CID | 159533309 |
| Molecular Formula | C121H156Br4Cl3F2K2LiN22O28Sn |
| Molecular Weight | 3034.52 g/mol |
| Exact Mass | 3028.57 |
| IUPAC Name | lithium;dipotassium;2-(6-acetyl-3-carbamoylindazol-1-yl)acetic acid;6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;6-acetyl-1-(2-oxopropyl)indazole-3-carboxamide;azane;6-bromo-1H-indazole-3-carboxamide;5-bromo-3H-isoindole-1-carboxylic acid;6-bromo-1-(2-oxopropyl)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;ethyl 2-bromoacetate;hydride;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxido formate;tributyl(1-ethoxyethenyl)stannane;hydroxide;hydrate |
| SMILES | C.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)Cn1nc(C(N)=O)c2ccc(Br)cc21.CC(=O)Cn1nc(C(N)=O)c2ccc(C(C)=O)cc21.CC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.CC(=O)c1ccc2c(C(N)=O)nn(CC(=O)O)c2c1.CC(C)COC(=O)Cl.CCOC(=O)CBr.CN1CCOCC1.N.NC(=O)c1n[nH]c2cc(Br)ccc12.O.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C(O)C1=NCc2cc(Br)ccc21.O=CO[O-].[H-].[K+].[K+].[Li+].[OH-] |
| InChI | InChI=1S/C24H23ClFN5O4.C13H13N3O3.C12H14ClFN2O.C12H11N3O4.C11H10BrN3O2.C9H6BrNO2.C8H6BrN3O.C5H9ClO2.C5H11NO.C4H7BrO2.C4H7O.3C4H9.CH2O3.CH4.2K.Li.H3N.2H2O.Sn.H/c1-13(32)14-5-8-17-19(9-14)31(29-23(17)24(27)35)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;1-7(17)6-16-11-5-9(8(2)18)3-4-10(11)12(15-16)13(14)19;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;1-6(16)7-2-3-8-9(4-7)15(5-10(17)18)14-11(8)12(13)19;1-6(16)5-15-9-4-7(12)2-3-8(9)10(14-15)11(13)17;10-6-1-2-7-5(3-6)4-11-8(7)9(12)13;9-4-1-2-5-6(3-4)11-12-7(5)8(10)13;1-4(2)3-8-5(6)7;1-6-2-4-7-5-3-6;1-2-7-4(6)3-5;1-3-5-4-2;3*1-3-4-2;2-1-4-3;;;;;;;;;/h2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);3-5H,6H2,1-2H3,(H2,14,19);1-3,9,15H,4-7H2,(H,16,17);2-4H,5H2,1H3,(H2,13,19)(H,17,18);2-4H,5H2,1H3,(H2,13,17);1-3H,4H2,(H,12,13);1-3H,(H2,10,13)(H,11,12);4H,3H2,1-2H3;2-5H2,1H3;2-3H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3;1,3H;1H4;;;;1H3;2*1H2;;/q;;;;;;;;;;;;;;;;3*+1;;;;;-1/p-2 |
| InChIKey | SSXVCXXJYBPKID-UHFFFAOYSA-L |
| XLogP | 8.57 |
| TPSA | 798.42 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3034.52 |
| LogP ≤ 5 | 8.57 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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