C102H142Cl6F4K2N16O18Si3 — CID 162191156
dipotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-amine;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;1-[2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;hydride;oxido formate;hydrochloride (PubChem CID 162191156) has the molecular formula C102H142Cl6F4K2N16O18Si3 and a molecular weight of 2331.52 g/mol. Its IUPAC name is dipotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-amine;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;1-[2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;hydride;oxido formate;hydrochloride.
| Compound Name | dipotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-amine;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;1-[2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;hydride;oxido formate;hydrochloride |
|---|---|
| PubChem CID | 162191156 |
| Molecular Formula | C102H142Cl6F4K2N16O18Si3 |
| Molecular Weight | 2331.52 g/mol |
| Exact Mass | 2326.73 |
| IUPAC Name | dipotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-amine;2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;1-[2-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;hydride;oxido formate;hydrochloride |
| SMILES | CC[C@@H](N)CO[Si](C)(C)C(C)(C)C.CC[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@H](CO[Si](C)(C)C(C)(C)C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@H](CO[Si](C)(C)C(C)(C)C)NCC(=O)NCc1cccc(Cl)c1F.Cl.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CCl)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+] |
| InChI | InChI=1S/C29H39ClFN5O4Si.C23H25ClFN5O4.C19H32ClFN2O2Si.C10H9Cl2FO.C10H9N3O3.C10H25NOSi.CH2O3.ClH.2K.H/c1-7-20(18-40-41(5,6)29(2,3)4)35(16-24(37)33-15-19-11-10-13-22(30)26(19)31)25(38)17-36-23-14-9-8-12-21(23)27(34-36)28(32)39;1-2-15(13-31)29(11-19(32)27-10-14-6-5-8-17(24)21(14)25)20(33)12-30-18-9-4-3-7-16(18)22(28-30)23(26)34;1-7-15(13-25-26(5,6)19(2,3)4)22-12-17(24)23-11-14-9-8-10-16(20)18(14)21;11-6-8(14)5-4-7-2-1-3-9(12)10(7)13;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-7-9(11)8-12-13(5,6)10(2,3)4;2-1-4-3;;;;/h8-14,20H,7,15-18H2,1-6H3,(H2,32,39)(H,33,37);3-9,15,31H,2,10-13H2,1H3,(H2,26,34)(H,27,32);8-10,15,22H,7,11-13H2,1-6H3,(H,23,24);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);9H,7-8,11H2,1-6H3;1,3H;1H;;;/q;;;;;;;;2*+1;-1/p-1/t20-;2*15-;;;9-;;;;;/m111..1...../s1 |
| InChIKey | ALMHEFWEMLVYBK-OYXZJNPYSA-M |
| XLogP | 10.36 |
| TPSA | 500.35 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2331.52 |
| LogP ≤ 5 | 10.36 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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