C136H141BrCl5F5N28O19 — CID 159940903
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 159940903) has the molecular formula C136H141BrCl5F5N28O19 and a molecular weight of 2823.96 g/mol. Its IUPAC name is 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide.
| Compound Name | 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide |
|---|---|
| PubChem CID | 159940903 |
| Molecular Formula | C136H141BrCl5F5N28O19 |
| Molecular Weight | 2823.96 g/mol |
| Exact Mass | 2818.85 |
| IUPAC Name | 1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide |
| SMILES | CC(C)(C)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)CCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N[C@@H](CC2CC2)C(=O)CCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)N[C@@H](CO)C(=O)CCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)N[C@H](C(=O)CCc2cccc(Cl)c2F)C2CC2)c2ccccc12 |
| InChI | InChI=1S/2C24H27ClFN5O3.C24H24ClFN4O3.C23H22ClFN4O3.C21H20ClFN4O4.C20H21BrN6O3/c1-24(2,3)14-30(12-19(32)28-11-15-7-6-9-17(25)21(15)26)20(33)13-31-18-10-5-4-8-16(18)22(29-31)23(27)34;1-15(2)10-11-30(13-20(32)28-12-16-6-5-8-18(25)22(16)26)21(33)14-31-19-9-4-3-7-17(19)23(29-31)24(27)34;25-17-6-3-4-15(22(17)26)10-11-20(31)18(12-14-8-9-14)28-21(32)13-30-19-7-2-1-5-16(19)23(29-30)24(27)33;24-16-6-3-4-13(20(16)25)10-11-18(30)21(14-8-9-14)27-19(31)12-29-17-7-2-1-5-15(17)22(28-29)23(26)32;22-14-6-3-4-12(19(14)23)8-9-17(29)15(11-28)25-18(30)10-27-16-7-2-1-5-13(16)20(26-27)21(24)31;1-12(2)26(10-17(28)24-16-9-5-8-15(21)23-16)18(29)11-27-14-7-4-3-6-13(14)19(25-27)20(22)30/h4-10H,11-14H2,1-3H3,(H2,27,34)(H,28,32);3-9,15H,10-14H2,1-2H3,(H2,27,34)(H,28,32);1-7,14,18H,8-13H2,(H2,27,33)(H,28,32);1-7,14,21H,8-12H2,(H2,26,32)(H,27,31);1-7,15,28H,8-11H2,(H2,24,31)(H,25,30);3-9,12H,10-11H2,1-2H3,(H2,22,30)(H,23,24,28)/t;;18-;21-;15-;/m..000./s1 |
| InChIKey | OAWCLGOUFCHEBG-FISUNEGWSA-N |
| XLogP | 16.45 |
| TPSA | 685.32 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2823.96 |
| LogP ≤ 5 | 16.45 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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