N-(2-amino-4-fluorophenyl)-5-bromo-2-(trifluoromethyl)benzamide;[5-[(2-amino-4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;N-(2-amino-4-fluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-borono-2-methylpyridine-3-carboxylic acid;bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine);5-bromo-2-(trifluoromethyl)benzoic acid;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole;bis(4-fluorobenzene-1,2-diamine);[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid
C173H119B3Br4F30N30O13 — CID 158515131
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-(2-amino-4-fluorophenyl)-5-bromo-2-(trifluoromethyl)benzamide;[5-[(2-amino-4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;N-(2-amino-4-fluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-borono-2-methylpyridine-3-carboxylic acid;bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine);5-bromo-2-(trifluoromethyl)benzoic acid;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole;bis(4-fluorobenzene-1,2-diamine);[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid
N-(2-amino-4-fluorophenyl)-5-bromo-2-(trifluoromethyl)benzamide;[5-[(2-amino-4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;N-(2-amino-4-fluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-borono-2-methylpyridine-3-carboxylic acid;bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine);5-bromo-2-(trifluoromethyl)benzoic acid;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole;bis(4-fluorobenzene-1,2-diamine);[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid (PubChem CID 158515131) has the molecular formula C173H119B3Br4F30N30O13 and a molecular weight of 3748.04 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-bromo-2-(trifluoromethyl)benzamide;[5-[(2-amino-4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;N-(2-amino-4-fluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-borono-2-methylpyridine-3-carboxylic acid;bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine);5-bromo-2-(trifluoromethyl)benzoic acid;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole;bis(4-fluorobenzene-1,2-diamine);[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid.
Molecular Properties
| Compound Name | N-(2-amino-4-fluorophenyl)-5-bromo-2-(trifluoromethyl)benzamide;[5-[(2-amino-4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;N-(2-amino-4-fluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-borono-2-methylpyridine-3-carboxylic acid;bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine);5-bromo-2-(trifluoromethyl)benzoic acid;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole;bis(4-fluorobenzene-1,2-diamine);[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid |
|---|---|
| PubChem CID | 158515131 |
| Molecular Formula | C173H119B3Br4F30N30O13 |
| Molecular Weight | 3748.04 g/mol |
| Exact Mass | 3742.61 |
| IUPAC Name | N-(2-amino-4-fluorophenyl)-5-bromo-2-(trifluoromethyl)benzamide;[5-[(2-amino-4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid;N-(2-amino-4-fluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-borono-2-methylpyridine-3-carboxylic acid;bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine);5-bromo-2-(trifluoromethyl)benzoic acid;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole;bis(4-fluorobenzene-1,2-diamine);[3-(6-fluoro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]boronic acid |
| SMILES | Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1-c1nc2ccc(F)cc2[nH]1.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)cc1N.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1N.Cc1ncc(B(O)O)cc1C(=O)O.Fc1ccc2nc(-c3cc(-c4cccn5c(-c6cccc(F)c6F)ncc45)ccc3C(F)(F)F)[nH]c2c1.Fc1cccc(-c2ncc3c(Br)cccn23)c1F.Fc1cccc(-c2ncc3c(Br)cccn23)c1F.Nc1cc(F)ccc1NC(=O)c1cc(Br)ccc1C(F)(F)F.Nc1ccc(F)cc1N.Nc1ccc(F)cc1N.O=C(O)c1cc(Br)ccc1C(F)(F)F.OB(O)c1ccc(C(F)(F)F)c(-c2nc3ccc(F)cc3[nH]2)c1 |
| InChI | InChI=1S/C27H14F6N4.C26H18F3N5O.C26H16F3N5.C14H9BF4N2O2.C14H9BrF4N2O.C13H13BFN3O3.2C13H7BrF2N2.C8H4BrF3O2.C7H8BNO4.2C6H7FN2/c28-15-7-9-21-22(12-15)36-25(35-21)18-11-14(6-8-19(18)27(31,32)33)16-4-2-10-37-23(16)13-34-26(37)17-3-1-5-20(29)24(17)30;1-14-19(26(35)33-22-8-7-16(27)11-21(22)30)10-15(12-31-14)17-5-3-9-34-23(17)13-32-25(34)18-4-2-6-20(28)24(18)29;1-14-19(25-32-21-8-7-16(27)11-22(21)33-25)10-15(12-30-14)17-5-3-9-34-23(17)13-31-26(34)18-4-2-6-20(28)24(18)29;16-8-2-4-11-12(6-8)21-13(20-11)9-5-7(15(22)23)1-3-10(9)14(17,18)19;15-7-1-3-10(14(17,18)19)9(5-7)13(22)21-12-4-2-8(16)6-11(12)20;1-7-10(4-8(6-17-7)14(20)21)13(19)18-12-3-2-9(15)5-11(12)16;2*14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;9-4-1-2-6(8(10,11)12)5(3-4)7(13)14;1-4-6(7(10)11)2-5(3-9-4)8(12)13;2*7-4-1-2-5(8)6(9)3-4/h1-13H,(H,35,36);2-13H,30H2,1H3,(H,33,35);2-13H,1H3,(H,32,33);1-6,22-23H,(H,20,21);1-6H,20H2,(H,21,22);2-6,20-21H,16H2,1H3,(H,18,19);2*1-7H;1-3H,(H,13,14);2-3,12-13H,1H3,(H,10,11);2*1-3H,8-9H2 |
| InChIKey | HLNOEUITJQOIGI-UHFFFAOYSA-N |
| XLogP | 38.15 |
| TPSA | 689.52 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 253 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3748.04 |
| LogP ≤ 5 | 38.15 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 35 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158515131 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.