C115H99F2N15O14S — CID 161042999
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 161042999) has the molecular formula C115H99F2N15O14S and a molecular weight of 1985.21 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide.
| Compound Name | 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide |
|---|---|
| PubChem CID | 161042999 |
| Molecular Formula | C115H99F2N15O14S |
| Molecular Weight | 1985.21 g/mol |
| Exact Mass | 1983.72 |
| IUPAC Name | 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide |
| SMILES | CCCOc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.CCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)c1ccco1 |
| InChI | InChI=1S/C24H21N3O4.C24H27N3O4.C23H16FN3OS.C22H14FN3O2.C22H21N3O3/c1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20;1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20;24-22-19(25-20(28)13-17-6-3-11-29-17)10-9-18-21(22)23(27-26-18)16-8-7-14-4-1-2-5-15(14)12-16;23-20-17(24-22(27)18-6-3-11-28-18)10-9-16-19(20)21(26-25-16)15-8-7-13-4-1-2-5-14(13)12-15;1-2-11-27-21-15(22(26)23-14-7-8-14)9-10-16-19(21)20(25-24-16)18-12-13-5-3-4-6-17(13)28-18/h3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27);5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27);1-12H,13H2,(H,25,28)(H,26,27);1-12H,(H,24,27)(H,25,26);3-6,9-10,12,14H,2,7-8,11H2,1H3,(H,23,26)(H,24,25)/t;18-;;;/m.1.../s1 |
| InChIKey | UBCVQPSQWIVYRO-OEGAAENXSA-N |
| XLogP | 25.59 |
| TPSA | 402.52 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1985.21 |
| LogP ≤ 5 | 25.59 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 20 |