C143H134FN29O10 — CID 157162854
N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide (PubChem CID 157162854) has the molecular formula C143H134FN29O10 and a molecular weight of 2437.84 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide.
| Compound Name | N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide |
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| PubChem CID | 157162854 |
| Molecular Formula | C143H134FN29O10 |
| Molecular Weight | 2437.84 g/mol |
| Exact Mass | 2436.09 |
| IUPAC Name | N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide |
| SMILES | CCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1cccn1.Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1 |
| InChI | InChI=1S/C23H23N5O2.C23H20N4O.C22H20N4O2.C21H18N4O2.C19H20N4O.C18H18N4O.C17H15FN4O/c1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;24-21-8-4-5-9-22(21)26-23(28)19-12-10-17(11-13-19)15-27-16-20(14-25-27)18-6-2-1-3-7-18;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23;22-18-4-1-2-5-19(18)24-21(26)16-9-7-15(8-10-16)13-25-14-17(12-23-25)20-6-3-11-27-20;1-2-16-11-12-23(22-16)13-14-7-9-15(10-8-14)19(24)21-18-6-4-3-5-17(18)20;1-13-11-14(7-8-15(13)12-22-10-4-9-20-22)18(23)21-17-6-3-2-5-16(17)19;18-14-6-7-15(19)16(10-14)21-17(23)13-4-2-12(3-5-13)11-22-9-1-8-20-22/h2-13,25H,14-15,24H2,1H3,(H,26,29);1-14,16H,15,24H2,(H,26,28);2-13H,14,23H2,1H3,(H,24,27);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);2-11H,12,19H2,1H3,(H,21,23);1-10H,11,19H2,(H,21,23) |
| InChIKey | AMOKJJKHBQYKBZ-UHFFFAOYSA-N |
| XLogP | 25.63 |
| TPSA | 554.21 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2437.84 |
| LogP ≤ 5 | 25.63 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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