C166H144N32O11 — CID 158823354
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-2-yl)methyl]benzamide (PubChem CID 158823354) has the molecular formula C166H144N32O11 and a molecular weight of 2763.19 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-2-yl)methyl]benzamide.
| Compound Name | N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-2-yl)methyl]benzamide |
|---|---|
| PubChem CID | 158823354 |
| Molecular Formula | C166H144N32O11 |
| Molecular Weight | 2763.19 g/mol |
| Exact Mass | 2761.17 |
| IUPAC Name | N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-2-yl)methyl]benzamide |
| SMILES | CN(C)c1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.COc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc3ccccc3c2-c2ccccn2)cc1.[C-]#[N+]c1ccc2nn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1 |
| InChI | InChI=1S/C26H21N5O.2C25H20N4O2.C23H23N5O2.C23H23N5O.C22H17N5O.C22H20N4O2/c27-21-8-2-4-10-23(21)29-26(32)19-14-12-18(13-15-19)17-31-25(24-11-5-6-16-28-24)20-7-1-3-9-22(20)30-31;26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29;26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29;1-30-15-25-22-18-6-2-5-9-21(18)28(27-22)14-16-10-12-17(13-11-16)23(29)26-20-8-4-3-7-19(20)24;1-27(2)23-18-7-3-5-9-20(18)26-28(23)15-16-11-13-17(14-12-16)22(29)25-21-10-6-4-8-19(21)24;1-24-18-10-11-20-17(12-18)14-27(26-20)13-15-6-8-16(9-7-15)22(28)25-21-5-3-2-4-19(21)23;1-28-22-17-6-2-5-9-20(17)26(25-22)14-15-10-12-16(13-11-15)21(27)24-19-8-4-3-7-18(19)23/h1-16H,17,27H2,(H,29,32);1-15H,16,26H2,(H,28,30);1-14,16H,15,26H2,(H,27,30);2-13H,14-15,24H2,1H3,(H,25,27)(H,26,29);3-14H,15,24H2,1-2H3,(H,25,29);2-12,14H,13,23H2,(H,25,28);2-13H,14,23H2,1H3,(H,24,27) |
| InChIKey | IWDLZZCSEGNACR-UHFFFAOYSA-N |
| XLogP | 31.66 |
| TPSA | 587.84 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2763.19 |
| LogP ≤ 5 | 31.66 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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