C108H100F3N27O10S5 — CID 161427249
N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide (PubChem CID 161427249) has the molecular formula C108H100F3N27O10S5 and a molecular weight of 2153.50 g/mol. Its IUPAC name is N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide.
| Compound Name | N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 161427249 |
| Molecular Formula | C108H100F3N27O10S5 |
| Molecular Weight | 2153.50 g/mol |
| Exact Mass | 2151.67 |
| IUPAC Name | N-[5-[[4-amino-2-(2,6-difluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[[4-amino-2-(2-fluorophenyl)butanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-3-carboxamide;N-[5-[(4-amino-2-pyridin-3-ylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide |
| SMILES | NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1c(F)cccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1ccccc1F.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cccs3)c2c1)c1cccnc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccsc3)c2c1)c1ccccc1.NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3cscn3)c2c1)c1ccccc1 |
| InChI | InChI=1S/C22H19F2N5O2S.C22H20FN5O2S.C22H21N5O2S.2C21H20N6O2S/c23-15-3-1-4-16(24)19(15)13(8-9-25)21(30)26-12-6-7-17-14(11-12)20(29-28-17)27-22(31)18-5-2-10-32-18;23-17-5-2-1-4-14(17)15(9-10-24)21(29)25-13-7-8-18-16(12-13)20(28-27-18)26-22(30)19-6-3-11-31-19;23-10-8-17(14-4-2-1-3-5-14)22(29)24-16-6-7-19-18(12-16)20(27-26-19)25-21(28)15-9-11-30-13-15;22-8-7-15(13-3-1-9-23-12-13)20(28)24-14-5-6-17-16(11-14)19(27-26-17)25-21(29)18-4-2-10-30-18;22-9-8-15(13-4-2-1-3-5-13)20(28)24-14-6-7-17-16(10-14)19(27-26-17)25-21(29)18-11-30-12-23-18/h1-7,10-11,13H,8-9,25H2,(H,26,30)(H2,27,28,29,31);1-8,11-12,15H,9-10,24H2,(H,25,29)(H2,26,27,28,30);1-7,9,11-13,17H,8,10,23H2,(H,24,29)(H2,25,26,27,28);1-6,9-12,15H,7-8,22H2,(H,24,28)(H2,25,26,27,29);1-7,10-12,15H,8-9,22H2,(H,24,28)(H2,25,26,27,29) |
| InChIKey | VXNIBJOYZXFDIZ-UHFFFAOYSA-N |
| XLogP | 18.95 |
| TPSA | 590.28 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2153.50 |
| LogP ≤ 5 | 18.95 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 27 |