N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid

C136H138B2Br5Cl4F14N27O18 — CID 159521037

About N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid

N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid (PubChem CID 159521037) has the molecular formula C136H138B2Br5Cl4F14N27O18 and a molecular weight of 3269.71 g/mol. Its IUPAC name is N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid.

Molecular Properties

• Compound Name: N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid
• PubChem CID: 159521037
• Molecular Formula: C136H138B2Br5Cl4F14N27O18
• Molecular Weight: 3269.71 g/mol
• Exact Mass: 3261.55
• IUPAC Name: N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid
• SMILES: C.C.C.C.C.C.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3[nH]cnc23)cn1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ncn(Cc4ccccc4)c23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.NCc1ccccc1.Nc1c(Cl)ncc(Br)c1NCc1ccccc1.O=CO.O=[N+]([O-])c1c(Cl)ncc(Br)c1Cl.O=[N+]([O-])c1c(Cl)ncc(Br)c1NCc1ccccc1.O=c1[nH]cc(Br)c2c1ncn2Cc1ccccc1.O=c1c2ncn(Cc3ccccc3)c2c(Br)cn1-c1ccc(OC(F)(F)F)cc1.OB(O)c1ccc(OC(F)(F)F)cc1.[2H]CF.[2H]CF
• InChI: InChI=1S/C24H18F3N5O2.C20H13BrF3N3O2.C17H12F3N5O2.C13H10BrN3O.C12H9BrClN3O2.C12H11BrClN3.C10H17BN2O2.C7H6BF3O3.C7H9N.C5HBrCl2N2O2.2CH3F.CH2O2.6CH4/c1-30-13-17(11-29-30)20-14-32(18-7-9-19(10-8-18)34-24(25,26)27)23(33)21-22(20)31(15-28-21)12-16-5-3-2-4-6-16;21-16-11-27(14-6-8-15(9-7-14)29-20(22,23)24)19(28)17-18(16)26(12-25-17)10-13-4-2-1-3-5-13;1-24-7-10(6-23-24)13-8-25(16(26)15-14(13)21-9-22-15)11-2-4-12(5-3-11)27-17(18,19)20;14-10-6-15-13(18)11-12(10)17(8-16-11)7-9-4-2-1-3-5-9;13-9-7-16-12(14)11(17(18)19)10(9)15-6-8-4-2-1-3-5-8;13-9-7-17-12(14)10(15)11(9)16-6-8-4-2-1-3-5-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;8-6-7-4-2-1-3-5-7;6-2-1-9-5(8)4(3(2)7)10(11)12;2*1-2;2-1-3;;;;;;/h2-11,13-15H,12H2,1H3;1-9,11-12H,10H2;2-9H,1H3,(H,21,22);1-6,8H,7H2,(H,15,18);1-5,7H,6H2,(H,15,16);1-5,7H,6,15H2,(H,16,17);6-7H,1-5H3;1-4,12-13H;1-5H,6,8H2;1H;2*1H3;1H,(H,2,3);6*1H4/i;;;;;;;;;;2*1D
• InChIKey: MBUKAVKINDPQDF-KRZIKWRASA-N
• XLogP: 32.57
• TPSA: 568.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3269.71
LogP ≤ 5	32.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid?

The IUPAC name of N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid (CID 159521037) is N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid.

What is the SMILES notation for N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid?

The canonical SMILES for N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid is C.C.C.C.C.C.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3[nH]cnc23)cn1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ncn(Cc4ccccc4)c23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.NCc1ccccc1.Nc1c(Cl)ncc(Br)c1NCc1ccccc1.O=CO.O=[N+]([O-])c1c(Cl)ncc(Br)c1Cl.O=[N+]([O-])c1c(Cl)ncc(Br)c1NCc1ccccc1.O=c1[nH]cc(Br)c2c1ncn2Cc1ccccc1.O=c1c2ncn(Cc3ccccc3)c2c(Br)cn1-c1ccc(OC(F)(F)F)cc1.OB(O)c1ccc(OC(F)(F)F)cc1.[2H]CF.[2H]CF.

What is the InChIKey of N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid?

The InChIKey is MBUKAVKINDPQDF-KRZIKWRASA-N. The full InChI is InChI=1S/C24H18F3N5O2.C20H13BrF3N3O2.C17H12F3N5O2.C13H10BrN3O.C12H9BrClN3O2.C12H11BrClN3.C10H17BN2O2.C7H6BF3O3.C7H9N.C5HBrCl2N2O2.2CH3F.CH2O2.6CH4/c1-30-13-17(11-29-30)20-14-32(18-7-9-19(10-8-18)34-24(25,26)27)23(33)21-22(20)31(15-28-21)12-16-5-3-2-4-6-16;21-16-11-27(14-6-8-15(9-7-14)29-20(22,23)24)19(28)17-18(16)26(12-25-17)10-13-4-2-1-3-5-13;1-24-7-10(6-23-24)13-8-25(16(26)15-14(13)21-9-22-15)11-2-4-12(5-3-11)27-17(18,19)20;14-10-6-15-13(18)11-12(10)17(8-16-11)7-9-4-2-1-3-5-9;13-9-7-16-12(14)11(17(18)19)10(9)15-6-8-4-2-1-3-5-8;13-9-7-17-12(14)10(15)11(9)16-6-8-4-2-1-3-5-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;8-6-7-4-2-1-3-5-7;6-2-1-9-5(8)4(3(2)7)10(11)12;2*1-2;2-1-3;;;;;;/h2-11,13-15H,12H2,1H3;1-9,11-12H,10H2;2-9H,1H3,(H,21,22);1-6,8H,7H2,(H,15,18);1-5,7H,6H2,(H,15,16);1-5,7H,6,15H2,(H,16,17);6-7H,1-5H3;1-4,12-13H;1-5H,6,8H2;1H;2*1H3;1H,(H,2,3);6*1H4/i;;;;;;;;;;2*1D;;;;;;;.

What are the key properties of N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid?

N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid has a molecular weight of 3269.71 g/mol, XLogP of 32.57, 26 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-bromo-2-chloro-3-nitropyridin-4-amine;4-N-benzyl-5-bromo-2-chloropyridine-3,4-diamine;1-benzyl-7-bromo-5H-imidazo[4,5-c]pyridin-4-one;1-benzyl-7-bromo-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;1-benzyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;5-bromo-2,4-dichloro-3-nitropyridine;deuterio(fluoro)methane;formic acid;methane;7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phenylmethanamine;[4-(trifluoromethoxy)phenyl]boronic acid is sourced from PubChem (CID 159521037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).