C114H106F7N23O13 — CID 158164926
3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide;3-(dimethylamino)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]propanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-pyridin-3-ylacetamide (PubChem CID 158164926) has the molecular formula C114H106F7N23O13 and a molecular weight of 2139.24 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide;3-(dimethylamino)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]propanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-pyridin-3-ylacetamide.
| Compound Name | 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide;3-(dimethylamino)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]propanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-pyridin-3-ylacetamide |
|---|---|
| PubChem CID | 158164926 |
| Molecular Formula | C114H106F7N23O13 |
| Molecular Weight | 2139.24 g/mol |
| Exact Mass | 2137.82 |
| IUPAC Name | 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide;3-(dimethylamino)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]propanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-pyridin-3-ylacetamide |
| SMILES | CN(C)CCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)C1CC1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)CCN(C)C.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)Cc1cccnc1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)[C@@H]1CCC(=O)N1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1NC(=O)[C@H]1CCC(=O)N1 |
| InChI | InChI=1S/C21H17FN4O2.2C19H17FN4O3.C19H21FN4O2.C18H18F2N4O.C18H16FN3O2/c1-28-19-11-17-16(21(26-25-17)14-5-2-6-15(22)9-14)10-18(19)24-20(27)8-13-4-3-7-23-12-13;2*1-27-16-9-14-12(18(24-23-14)10-3-2-4-11(20)7-10)8-15(16)22-19(26)13-5-6-17(25)21-13;1-24(2)8-7-18(25)21-16-10-14-15(11-17(16)26-3)22-23-19(14)12-5-4-6-13(20)9-12;1-24(2)7-6-17(25)21-16-9-13-15(10-14(16)20)22-23-18(13)11-4-3-5-12(19)8-11;1-24-16-9-14-13(8-15(16)20-18(23)10-5-6-10)17(22-21-14)11-3-2-4-12(19)7-11/h2-7,9-12H,8H2,1H3,(H,24,27)(H,25,26);2*2-4,7-9,13H,5-6H2,1H3,(H,21,25)(H,22,26)(H,23,24);4-6,9-11H,7-8H2,1-3H3,(H,21,25)(H,22,23);3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,23);2-4,7-10H,5-6H2,1H3,(H,20,23)(H,21,22)/t;2*13-;;;/m.10.../s1 |
| InChIKey | FWSLPAIHMVWCAY-NUDSGZOFSA-N |
| XLogP | 19.54 |
| TPSA | 470.40 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2139.24 |
| LogP ≤ 5 | 19.54 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 22 |