C132H137BrCl5F5N30O19 — CID 157076704
1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 157076704) has the molecular formula C132H137BrCl5F5N30O19 and a molecular weight of 2799.90 g/mol. Its IUPAC name is 1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide.
| Compound Name | 1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide |
|---|---|
| PubChem CID | 157076704 |
| Molecular Formula | C132H137BrCl5F5N30O19 |
| Molecular Weight | 2799.90 g/mol |
| Exact Mass | 2794.82 |
| IUPAC Name | 1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide |
| SMILES | CC(C)(O)CN(CC(=O)CCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(CC(=O)CCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12 |
| InChI | InChI=1S/C24H26ClFN4O4.C23H23ClFN5O3.C22H22ClF2N5O3.C21H23BrN6O3.C21H20ClFN4O3.C21H23ClN6O3/c1-24(2,34)14-29(12-16(31)11-10-15-6-5-8-18(25)21(15)26)20(32)13-30-19-9-4-3-7-17(19)22(28-30)23(27)33;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;23-16-7-3-5-14(20(16)25)11-27-18(31)12-29(10-4-9-24)19(32)13-30-17-8-2-1-6-15(17)21(28-30)22(26)33;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;1-26(11-14(28)10-9-13-5-4-7-16(22)19(13)23)18(29)12-27-17-8-3-2-6-15(17)20(25-27)21(24)30;1-13(2)27(11-18(29)24-10-14-6-5-9-17(22)25-14)19(30)12-28-16-8-4-3-7-15(16)20(26-28)21(23)31/h3-9,34H,10-14H2,1-2H3,(H2,27,33);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);1-3,5-8H,4,9-13H2,(H2,26,33)(H,27,31);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);2-8H,9-12H2,1H3,(H2,24,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,29) |
| InChIKey | ADBBSMPFXDKZJN-UHFFFAOYSA-N |
| XLogP | 14.67 |
| TPSA | 683.87 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2799.90 |
| LogP ≤ 5 | 14.67 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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