C132H106F6N20O11S — CID 159255399
N-(2-acetamidoethyl)-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 159255399) has the molecular formula C132H106F6N20O11S and a molecular weight of 2294.48 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.
| Compound Name | N-(2-acetamidoethyl)-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide |
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| PubChem CID | 159255399 |
| Molecular Formula | C132H106F6N20O11S |
| Molecular Weight | 2294.48 g/mol |
| Exact Mass | 2292.80 |
| IUPAC Name | N-(2-acetamidoethyl)-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;4-fluoro-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide |
| SMILES | CC(=O)NCCNC(=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.CC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.C[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)C(N)=O.O=C(NC1CC1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.O=C(NCCc1cccs1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F |
| InChI | InChI=1S/C24H18FN3OS.C23H16FN3O2.C23H22FN3O2.C22H19FN4O2.C21H17FN4O2.C19H14FN3O2/c25-22-19(24(29)26-12-11-18-6-3-13-30-18)9-10-20-21(22)23(28-27-20)17-8-7-15-4-1-2-5-16(15)14-17;24-21-18(23(28)25-13-17-6-3-11-29-17)9-10-19-20(21)22(27-26-19)16-8-7-14-4-1-2-5-15(14)12-16;1-13(2)19(12-28)25-23(29)17-9-10-18-20(21(17)24)22(27-26-18)16-8-7-14-5-3-4-6-15(14)11-16;1-13(28)24-10-11-25-22(29)17-8-9-18-19(20(17)23)21(27-26-18)16-7-6-14-4-2-3-5-15(14)12-16;1-11(20(23)27)24-21(28)15-8-9-16-17(18(15)22)19(26-25-16)14-7-6-12-4-2-3-5-13(12)10-14;20-17-12(19(24)21-11-5-6-11)7-8-13-16(17)18(23-22-13)15-9-10-3-1-2-4-14(10)25-15/h1-10,13-14H,11-12H2,(H,26,29)(H,27,28);1-12H,13H2,(H,25,28)(H,26,27);3-11,13,19,28H,12H2,1-2H3,(H,25,29)(H,26,27);2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,26,27);2-11H,1H3,(H2,23,27)(H,24,28)(H,25,26);1-4,7-9,11H,5-6H2,(H,21,24)(H,22,23)/t;;19-;;11-;/m..1.0./s1 |
| InChIKey | KVVGIUJBAZZZIU-QKPGFYDSSA-N |
| XLogP | 25.39 |
| TPSA | 465.38 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2294.48 |
| LogP ≤ 5 | 25.39 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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