C110H95N17O20S — CID 159098011
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3R)-2-oxooxolan-3-yl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide (PubChem CID 159098011) has the molecular formula C110H95N17O20S and a molecular weight of 2007.14 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3R)-2-oxooxolan-3-yl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide.
| Compound Name | N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3R)-2-oxooxolan-3-yl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159098011 |
| Molecular Formula | C110H95N17O20S |
| Molecular Weight | 2007.14 g/mol |
| Exact Mass | 2005.67 |
| IUPAC Name | N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3R)-2-oxooxolan-3-yl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NCC2CCCO2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCCc2nccs2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)N[C@@H]2CCOC2=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12 |
| InChI | InChI=1S/C25H21N3O4.C22H18N4O3S.C22H21N3O4.C21H17N3O5.C20H18N4O4/c1-31-24-17(25(30)26-19(14-29)15-7-3-2-4-8-15)11-12-18-22(24)23(28-27-18)21-13-16-9-5-6-10-20(16)32-21;1-28-21-14(22(27)24-9-8-18-23-10-11-30-18)6-7-15-19(21)20(26-25-15)17-12-13-4-2-3-5-16(13)29-17;1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18;1-27-19-12(20(25)22-14-8-9-28-21(14)26)6-7-13-17(19)18(24-23-13)16-10-11-4-2-3-5-15(11)29-16;1-10(19(21)25)22-20(26)12-7-8-13-16(18(12)27-2)17(24-23-13)15-9-11-5-3-4-6-14(11)28-15/h2-13,19,29H,14H2,1H3,(H,26,30)(H,27,28);2-7,10-12H,8-9H2,1H3,(H,24,27)(H,25,26);2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25);2-7,10,14H,8-9H2,1H3,(H,22,25)(H,23,24);3-10H,1-2H3,(H2,21,25)(H,22,26)(H,23,24)/t19-;;;14-;10-/m1..10/s1 |
| InChIKey | KCXKHLAZEUQIPX-HJTOFSHKSA-N |
| XLogP | 18.37 |
| TPSA | 512.49 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2007.14 |
| LogP ≤ 5 | 18.37 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |