C119H115F6N21O17 — CID 158218052
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-2H-indazole-5-carboxamide;N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 158218052) has the molecular formula C119H115F6N21O17 and a molecular weight of 2225.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-2H-indazole-5-carboxamide;N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
| Compound Name | N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-2H-indazole-5-carboxamide;N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide |
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| PubChem CID | 158218052 |
| Molecular Formula | C119H115F6N21O17 |
| Molecular Weight | 2225.35 g/mol |
| Exact Mass | 2223.87 |
| IUPAC Name | N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-2H-indazole-5-carboxamide;N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NCCNC(C)=O)ccc2n[nH]c(-c3cccc(F)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(-c3cccc(F)c3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cccc(F)c3)c12.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCNC(C)=O.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCc1cccnc1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)C(C)C |
| InChI | InChI=1S/C21H17FN4O2.C20H16FN3O3.2C20H22FN3O3.2C19H19FN4O3/c1-28-19-10-18-16(20(26-25-18)14-5-2-6-15(22)8-14)9-17(19)21(27)24-12-13-4-3-7-23-11-13;1-26-19-15(20(25)22-11-14-6-3-9-27-14)7-8-16-17(19)18(24-23-16)12-4-2-5-13(21)10-12;1-11(2)17(10-25)22-20(26)15-8-14-16(9-18(15)27-3)23-24-19(14)12-5-4-6-13(21)7-12;1-11(2)16(10-25)22-20(26)14-7-8-15-17(19(14)27-3)18(24-23-15)12-5-4-6-13(21)9-12;1-11(25)21-6-7-22-19(26)15-9-14-16(10-17(15)27-2)23-24-18(14)12-4-3-5-13(20)8-12;1-11(25)21-8-9-22-19(26)14-6-7-15-16(18(14)27-2)17(24-23-15)12-4-3-5-13(20)10-12/h2-11H,12H2,1H3,(H,24,27)(H,25,26);2-10H,11H2,1H3,(H,22,25)(H,23,24);4-9,11,17,25H,10H2,1-3H3,(H,22,26)(H,23,24);4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24);3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,24);3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)/t;;17-;16-;;/m..11../s1 |
| InChIKey | GCXCQORYABWITP-QFUGTYKLSA-N |
| XLogP | 18.34 |
| TPSA | 526.75 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2225.35 |
| LogP ≤ 5 | 18.34 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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