C222H173N33O18S3 — CID 160856074
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,5-dihydro-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide (PubChem CID 160856074) has the molecular formula C222H173N33O18S3 and a molecular weight of 3687.24 g/mol. Its IUPAC name is 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,5-dihydro-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide.
| Compound Name | 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,5-dihydro-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide |
|---|---|
| PubChem CID | 160856074 |
| Molecular Formula | C222H173N33O18S3 |
| Molecular Weight | 3687.24 g/mol |
| Exact Mass | 3684.28 |
| IUPAC Name | 3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,5-dihydro-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide |
| SMILES | CC(=O)c1cccc(C(=O)Nc2cccc(N(C)c3ccc4c(/C=C/c5ccc6c(c5)OCO6)n[nH]c4c3)c2)c1.CC(C)ONC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n[nH]1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(-c5cc6ccccc6[nH]5)n[nH]c4c3)c2)c1.Cc1nc(/C=C/c2n[nH]c3c2CCC(C(=O)c2cccc(NC(=O)c4ccccc4)c2)=C3)cs1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccs4)n[nH]c3c2)c1)c1ccccc1.O=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1 |
| InChI | InChI=1S/C32H26N4O4.C31H22N4O2.C29H22N4O2.C27H22N4O2S.C27H20N4O2.C26H20N6O2.C26H19N3O2S.C24H22N4O2S/c1-20(37)22-5-3-6-23(16-22)32(38)33-24-7-4-8-25(17-24)36(2)26-11-12-27-28(34-35-29(27)18-26)13-9-21-10-14-30-31(15-21)40-19-39-30;36-30(22-13-14-26-28(34-35-29(26)19-22)15-12-20-6-2-1-3-7-20)21-8-4-9-23(18-21)33-31(37)25-10-5-11-27-24(25)16-17-32-27;1-18-6-4-8-20(14-18)29(34)30-21-9-5-10-22(16-21)35-23-12-13-24-26(17-23)32-33-28(24)27-15-19-7-2-3-11-25(19)31-27;1-17-28-22(16-34-17)11-13-24-23-12-10-20(15-25(23)31-30-24)26(32)19-8-5-9-21(14-19)29-27(33)18-6-3-2-4-7-18;32-27(19-7-2-1-3-8-19)29-21-10-6-11-22(17-21)33-23-13-14-24-25(30-31-26(24)18-23)15-12-20-9-4-5-16-28-20;1-16-13-24(32-29-16)26(34)28-20-7-4-5-17(14-20)25(33)18-8-10-21-22(30-31-23(21)15-18)11-9-19-6-2-3-12-27-19;30-26(18-6-2-1-3-7-18)27-19-8-4-9-20(16-19)31-21-11-13-23-24(28-29-25(23)17-21)14-12-22-10-5-15-32-22;1-16(2)30-28-24(29)20-8-3-4-9-23(20)31-18-11-12-19-21(26-27-22(19)15-18)13-10-17-7-5-6-14-25-17/h3-18H,19H2,1-2H3,(H,33,38)(H,34,35);1-19,32H,(H,33,37)(H,34,35);2-17,31H,1H3,(H,30,34)(H,32,33);2-9,11,13-16H,10,12H2,1H3,(H,29,33)(H,30,31);1-18H,(H,29,32)(H,30,31);2-15H,1H3,(H,28,34)(H,29,32)(H,30,31);1-17H,(H,27,30)(H,28,29);3-16H,1-2H3,(H,26,27)(H,28,29)/b13-9+;15-12+;;13-11+;15-12+;11-9+;14-12+;13-10+ |
| InChIKey | SJWLCOCQKWRVTB-DJMGXSFJSA-N |
| XLogP | 49.26 |
| TPSA | 700.96 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 276 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3687.24 |
| LogP ≤ 5 | 49.26 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 35 |