C115H111N25O11S2 — CID 158570025
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]furan-2-carboxamide;N-[[5-[(4-amino-2-phenylbutanoyl)amino]-2H-indazol-3-yl]methyl]benzamide;N-[5-[[(2S)-4-amino-2-phenylbutanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide;5-[(4-amino-2-phenylbutanoyl)amino]-N-phenyl-1H-indazole-3-carboxamide (PubChem CID 158570025) has the molecular formula C115H111N25O11S2 and a molecular weight of 2083.45 g/mol. Its IUPAC name is N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]furan-2-carboxamide;N-[[5-[(4-amino-2-phenylbutanoyl)amino]-2H-indazol-3-yl]methyl]benzamide;N-[5-[[(2S)-4-amino-2-phenylbutanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide;5-[(4-amino-2-phenylbutanoyl)amino]-N-phenyl-1H-indazole-3-carboxamide.
| Compound Name | N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]furan-2-carboxamide;N-[[5-[(4-amino-2-phenylbutanoyl)amino]-2H-indazol-3-yl]methyl]benzamide;N-[5-[[(2S)-4-amino-2-phenylbutanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide;5-[(4-amino-2-phenylbutanoyl)amino]-N-phenyl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158570025 |
| Molecular Formula | C115H111N25O11S2 |
| Molecular Weight | 2083.45 g/mol |
| Exact Mass | 2081.83 |
| IUPAC Name | N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]furan-2-carboxamide;N-[[5-[(4-amino-2-phenylbutanoyl)amino]-2H-indazol-3-yl]methyl]benzamide;N-[5-[[(2S)-4-amino-2-phenylbutanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide;5-[(4-amino-2-phenylbutanoyl)amino]-N-phenyl-1H-indazole-3-carboxamide |
| SMILES | NCCC(C(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccco3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2n[nH]c(CNC(=O)c3ccccc3)c2c1)c1ccccc1.NCC[C@H](C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1ccccc1 |
| InChI | InChI=1S/C25H25N5O2.C24H23N5O2.C22H21N5O3.2C22H21N5O2S/c26-14-13-20(17-7-3-1-4-8-17)25(32)28-19-11-12-22-21(15-19)23(30-29-22)16-27-24(31)18-9-5-2-6-10-18;25-14-13-19(16-7-3-1-4-8-16)23(30)27-18-11-12-21-20(15-18)22(29-28-21)24(31)26-17-9-5-2-6-10-17;3*23-11-10-16(14-5-2-1-3-6-14)21(28)24-15-8-9-18-17(13-15)20(27-26-18)25-22(29)19-7-4-12-30-19/h1-12,15,20H,13-14,16,26H2,(H,27,31)(H,28,32)(H,29,30);1-12,15,19H,13-14,25H2,(H,26,31)(H,27,30)(H,28,29);3*1-9,12-13,16H,10-11,23H2,(H,24,28)(H2,25,26,27,29)/t;;;16-;/m...0./s1 |
| InChIKey | HRYRPASBFDINPL-IQYCNGPWSA-N |
| XLogP | 18.83 |
| TPSA | 577.64 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2083.45 |
| LogP ≤ 5 | 18.83 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 23 |