C179H149N27O11S — CID 157357809
N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;methane;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide (PubChem CID 157357809) has the molecular formula C179H149N27O11S and a molecular weight of 2886.41 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;methane;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide.
| Compound Name | N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;methane;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 157357809 |
| Molecular Formula | C179H149N27O11S |
| Molecular Weight | 2886.41 g/mol |
| Exact Mass | 2884.17 |
| IUPAC Name | N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;methane;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide |
| SMILES | C.C.C.C.C.C.Cc1ccc2cc(NC(=O)c3ccccc3Sc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)ccc2n1.O=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccncc1.O=C(c1cccc(NC(=O)C2C[C@H]2c2ccccc2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(c1cccc(NC(=O)c2ccccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 |
| InChI | InChI=1S/C32H24N4OS.C31H24N4O2.C28H19N5O2.C28H20N4O2.2C27H19N5O2.6CH4/c1-21-11-13-23-19-24(14-18-28(23)33-21)34-32(37)27-9-5-6-10-31(27)38-25-15-16-26-29(35-36-30(26)20-25)17-12-22-7-3-2-4-8-22;36-30(22-12-14-25-28(34-35-29(25)18-22)15-13-23-10-4-5-16-32-23)21-9-6-11-24(17-21)33-31(37)27-19-26(27)20-7-2-1-3-8-20;34-26(18-9-6-10-20(15-18)29-28(35)17-7-2-1-3-8-17)19-13-14-21-24(16-19)32-33-25(21)27-30-22-11-4-5-12-23(22)31-27;33-27(20-9-6-11-23(17-20)30-28(34)19-7-2-1-3-8-19)21-12-14-24-25(31-32-26(24)18-21)15-13-22-10-4-5-16-29-22;33-26(18-6-5-8-21(16-18)30-27(34)24-9-2-4-15-29-24)19-10-12-22-23(31-32-25(22)17-19)13-11-20-7-1-3-14-28-20;33-26(19-4-3-6-22(16-19)30-27(34)18-11-14-28-15-12-18)20-7-9-23-24(31-32-25(23)17-20)10-8-21-5-1-2-13-29-21;;;;;;/h2-20H,1H3,(H,34,37)(H,35,36);1-18,26-27H,19H2,(H,33,37)(H,34,35);1-16H,(H,29,35)(H,30,31)(H,32,33);1-18H,(H,30,34)(H,31,32);2*1-17H,(H,30,34)(H,31,32);6*1H4/b17-12+;15-13+;;15-13+;13-11+;10-8+;;;;;;/t;26-,27?;;;;;;;;;;/m.0........../s1 |
| InChIKey | BIHHRFVMPRLFJM-ZRUMRMLKSA-N |
| XLogP | 39.13 |
| TPSA | 550.94 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2886.41 |
| LogP ≤ 5 | 39.13 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 26 |