C138H143Cl5F5N29O18 — CID 158289672
2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-ethyloxetan-3-yl)methyl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide (PubChem CID 158289672) has the molecular formula C138H143Cl5F5N29O18 and a molecular weight of 2768.10 g/mol. Its IUPAC name is 2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-ethyloxetan-3-yl)methyl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide.
| Compound Name | 2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-ethyloxetan-3-yl)methyl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide |
|---|---|
| PubChem CID | 158289672 |
| Molecular Formula | C138H143Cl5F5N29O18 |
| Molecular Weight | 2768.10 g/mol |
| Exact Mass | 2763.95 |
| IUPAC Name | 2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-ethyloxetan-3-yl)methyl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide |
| SMILES | CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C#Cc3ncccn3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)CC3CC3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCCC3)ccc21.CCC1(CN(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(C)=O)c3ccccc32)COC1 |
| InChI | InChI=1S/C29H24ClFN6O3.C28H33ClFN7O4.C28H31ClFN5O4.C27H27ClFN7O3.C26H28ClFN4O4/c1-18(38)29-22-14-19(7-11-25-32-12-3-13-33-25)6-10-24(22)37(35-29)17-27(40)36(21-8-9-21)16-26(39)34-15-20-4-2-5-23(30)28(20)31;1-17(2)36(15-23(38)32-14-18-7-6-8-21(29)25(18)30)24(39)16-37-22-10-9-19(13-20(22)26(34-37)27(31)40)33-28(41)35-11-4-3-5-12-35;1-16(2)34(14-24(37)32-13-19-4-3-5-22(29)26(19)30)25(38)15-35-23-9-8-18(11-20(36)10-17-6-7-17)12-21(23)27(33-35)28(31)39;1-16(2)35(13-24(38)32-10-18-5-4-6-22(28)26(18)29)25(39)14-36-23-8-7-19(33-20-11-30-15-31-12-20)9-21(23)27(34-36)17(3)37;1-3-26(15-36-16-26)14-31(12-22(34)29-11-18-7-6-9-20(27)24(18)28)23(35)13-32-21-10-5-4-8-19(21)25(30-32)17(2)33/h2-6,10,12-14,21H,8-9,15-17H2,1H3,(H,34,39);6-10,13,17H,3-5,11-12,14-16H2,1-2H3,(H2,31,40)(H,32,38)(H,33,41);3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3,(H2,31,39)(H,32,37);4-9,11-12,15-16,33H,10,13-14H2,1-3H3,(H,32,38);4-10H,3,11-16H2,1-2H3,(H,29,34) |
| InChIKey | GLEZKCPSWAZGKN-UHFFFAOYSA-N |
| XLogP | 18.14 |
| TPSA | 595.77 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2768.10 |
| LogP ≤ 5 | 18.14 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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