C128H112F6N22O13 — CID 158848054
6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 158848054) has the molecular formula C128H112F6N22O13 and a molecular weight of 2280.43 g/mol. Its IUPAC name is 6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
| Compound Name | 6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide |
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| PubChem CID | 158848054 |
| Molecular Formula | C128H112F6N22O13 |
| Molecular Weight | 2280.43 g/mol |
| Exact Mass | 2278.87 |
| IUPAC Name | 6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide;(2S)-N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide |
| SMILES | CC(C)[C@@H](CO)NC(=O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.COc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12.COc1c(NC(=O)C2CCC(=O)N2)ccc2[nH]nc(-c3cccc(F)c3)c12.COc1c(NC(=O)[C@@H]2CCC(=O)N2)ccc2[nH]nc(-c3cccc(F)c3)c12.O=C(NCCCN1CCCC1=O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCc1cccnc1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F |
| InChI | InChI=1S/C25H23FN4O2.C24H17FN4O.C23H22FN3O2.2C19H17FN4O3.C18H16FN3O2/c26-21-15-22-20(14-19(21)25(32)27-10-4-12-30-11-3-7-23(30)31)24(29-28-22)18-9-8-16-5-1-2-6-17(16)13-18;25-21-12-22-20(11-19(21)24(30)27-14-15-4-3-9-26-13-15)23(29-28-22)18-8-7-16-5-1-2-6-17(16)10-18;1-13(2)21(12-28)25-23(29)17-10-18-20(11-19(17)24)26-27-22(18)16-8-7-14-5-3-4-6-15(14)9-16;2*1-27-18-13(22-19(26)14-7-8-15(25)21-14)6-5-12-16(18)17(24-23-12)10-3-2-4-11(20)9-10;1-24-17-14(20-18(23)10-5-6-10)8-7-13-15(17)16(22-21-13)11-3-2-4-12(19)9-11/h1-2,5-6,8-9,13-15H,3-4,7,10-12H2,(H,27,32)(H,28,29);1-13H,14H2,(H,27,30)(H,28,29);3-11,13,21,28H,12H2,1-2H3,(H,25,29)(H,26,27);2*2-6,9,14H,7-8H2,1H3,(H,21,25)(H,22,26)(H,23,24);2-4,7-10H,5-6H2,1H3,(H,20,23)(H,21,22)/t;;21-;14-;;/m..10../s1 |
| InChIKey | IZCAHZLSHYROKW-HNQCGKOOSA-N |
| XLogP | 22.30 |
| TPSA | 486.00 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2280.43 |
| LogP ≤ 5 | 22.30 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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