C110H96F9N21O10 — CID 159140195
N-(2-acetamidoethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 159140195) has the molecular formula C110H96F9N21O10 and a molecular weight of 2043.10 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-(2-acetamidoethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159140195 |
| Molecular Formula | C110H96F9N21O10 |
| Molecular Weight | 2043.10 g/mol |
| Exact Mass | 2041.75 |
| IUPAC Name | N-(2-acetamidoethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | CC(=O)NCCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.CN(C)CCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.COc1c(C(=O)NC2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(-c3cccc(F)c3)c12.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC1CC1.O=C(NC1CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F |
| InChI | InChI=1S/C21H17FN4O2.C18H16F2N4O2.C18H18F2N4O.2C18H16FN3O2.C17H13F2N3O/c1-28-20-16(21(27)24-12-13-4-3-9-23-11-13)7-8-17-18(20)19(26-25-17)14-5-2-6-15(22)10-14;1-10(25)21-7-8-22-18(26)13-5-6-14-15(16(13)20)17(24-23-14)11-3-2-4-12(19)9-11;1-24(2)9-8-21-18(25)13-6-7-14-15(16(13)20)17(23-22-14)11-4-3-5-12(19)10-11;1-24-16-9-15-13(8-14(16)18(23)20-12-5-6-12)17(22-21-15)10-3-2-4-11(19)7-10;1-24-17-13(18(23)20-12-5-6-12)7-8-14-15(17)16(22-21-14)10-3-2-4-11(19)9-10;18-10-3-1-2-9(8-10)16-14-13(21-22-16)7-6-12(15(14)19)17(23)20-11-4-5-11/h2-11H,12H2,1H3,(H,24,27)(H,25,26);2-6,9H,7-8H2,1H3,(H,21,25)(H,22,26)(H,23,24);3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,23);2*2-4,7-9,12H,5-6H2,1H3,(H,20,23)(H,21,22);1-3,6-8,11H,4-5H2,(H,20,23)(H,21,22) |
| InChIKey | KHZQBBVQYQLFSI-UHFFFAOYSA-N |
| XLogP | 18.82 |
| TPSA | 419.60 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2043.10 |
| LogP ≤ 5 | 18.82 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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