C118H114F5N19O14 — CID 157481783
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide (PubChem CID 157481783) has the molecular formula C118H114F5N19O14 and a molecular weight of 2117.32 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide.
| Compound Name | N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157481783 |
| Molecular Formula | C118H114F5N19O14 |
| Molecular Weight | 2117.32 g/mol |
| Exact Mass | 2115.87 |
| IUPAC Name | N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-3H-indazole-5-carboxamide;N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-methyl-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-methyl-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxamide |
| SMILES | CNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.CNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1.COc1c(C(=O)N[C@H](C(=O)N(C)C)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@H](C(=O)NC2CC2)c2ccccc2)ccc2c1C(/C=C/c1ccc(F)cc1)N=N2.NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCN1CCOCC1 |
| InChI | InChI=1S/C28H25FN4O3.C27H25FN4O3.C23H25FN4O3.C22H23FN4O3.C18H16FN3O2/c1-36-26-21(27(34)31-25(18-5-3-2-4-6-18)28(35)30-20-12-13-20)14-16-23-24(26)22(32-33-23)15-9-17-7-10-19(29)11-8-17;1-32(2)27(34)24(18-7-5-4-6-8-18)29-26(33)20-14-16-22-23(25(20)35-3)21(30-31-22)15-11-17-9-12-19(28)13-10-17;1-25-23(29)18-7-9-20-21(22(18)31-15-12-28-10-13-30-14-11-28)19(26-27-20)8-4-16-2-5-17(24)6-3-16;23-16-4-1-15(2-5-16)3-7-18-20-19(26-25-18)8-6-17(22(24)28)21(20)30-14-11-27-9-12-29-13-10-27;1-20-18(23)13-8-10-15-16(17(13)24-2)14(21-22-15)9-5-11-3-6-12(19)7-4-11/h2-11,14-16,20,22,25H,12-13H2,1H3,(H,30,35)(H,31,34);4-16,24H,1-3H3,(H,29,33)(H,30,31);2-9H,10-15H2,1H3,(H,25,29)(H,26,27);1-8H,9-14H2,(H2,24,28)(H,25,26);3-10H,1-2H3,(H,20,23)(H,21,22)/b15-9+;15-11+;8-4+;7-3+;9-5+/t22?,25-;24-;;;/m00.../s1 |
| InChIKey | BWFYMKSCVKTHPX-QRPAGWCCSA-N |
| XLogP | 18.74 |
| TPSA | 419.43 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2117.32 |
| LogP ≤ 5 | 18.74 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 22 |