C127H113N23O11S3 — CID 161227302
(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3,3-dimethylbutanamide;(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-phenylmethoxypropanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methylbutanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-phenylpropanamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide (PubChem CID 161227302) has the molecular formula C127H113N23O11S3 and a molecular weight of 2233.65 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3,3-dimethylbutanamide;(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-phenylmethoxypropanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methylbutanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-phenylpropanamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide.
| Compound Name | (2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3,3-dimethylbutanamide;(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-phenylmethoxypropanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methylbutanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-phenylpropanamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 161227302 |
| Molecular Formula | C127H113N23O11S3 |
| Molecular Weight | 2233.65 g/mol |
| Exact Mass | 2231.82 |
| IUPAC Name | (2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3,3-dimethylbutanamide;(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-phenylmethoxypropanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methylbutanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-phenylpropanamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide |
| SMILES | CC(C)(C)[C@@H](N)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.CC(C)[C@@H](N)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.N[C@H](COCc1ccccc1)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.N[C@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.O=C(Nc1ccc2[nH]nc(-c3ccco3)c2c1)C(CO)c1ccccc1.O=C(Nc1ccc2[nH]nc(-c3cccs3)c2c1)c1ccccn1 |
| InChI | InChI=1S/C25H22N4O3.C24H20N4OS.C21H22N4O2.C20H20N4OS.C20H17N3O3.C17H12N4OS/c26-20(15-31-14-16-6-2-1-3-7-16)25(30)27-18-10-11-21-19(13-18)24(29-28-21)23-12-17-8-4-5-9-22(17)32-23;25-19(12-15-6-2-1-3-7-15)24(29)26-17-10-11-20-18(14-17)23(28-27-20)22-13-16-8-4-5-9-21(16)30-22;1-21(2,3)19(22)20(26)23-13-8-9-15-14(11-13)18(25-24-15)17-10-12-6-4-5-7-16(12)27-17;1-11(2)18(21)20(25)22-13-7-8-15-14(10-13)19(24-23-15)17-9-12-5-3-4-6-16(12)26-17;24-12-16(13-5-2-1-3-6-13)20(25)21-14-8-9-17-15(11-14)19(23-22-17)18-7-4-10-26-18;22-17(14-4-1-2-8-18-14)19-11-6-7-13-12(10-11)16(21-20-13)15-5-3-9-23-15/h1-13,20H,14-15,26H2,(H,27,30)(H,28,29);1-11,13-14,19H,12,25H2,(H,26,29)(H,27,28);4-11,19H,22H2,1-3H3,(H,23,26)(H,24,25);3-11,18H,21H2,1-2H3,(H,22,25)(H,23,24);1-11,16,24H,12H2,(H,21,25)(H,22,23);1-10H,(H,19,22)(H,20,21)/t20-;2*19-;18-;;/m1101../s1 |
| InChIKey | UYHIAXGUBIYPKE-VVTCWKAESA-N |
| XLogP | 25.54 |
| TPSA | 532.53 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2233.65 |
| LogP ≤ 5 | 25.54 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 25 |