2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine

C146H134B2Br4F20N26O13 — CID 158182850

About 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine

2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 158182850) has the molecular formula C146H134B2Br4F20N26O13 and a molecular weight of 3182.05 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine
• PubChem CID: 158182850
• Molecular Formula: C146H134B2Br4F20N26O13
• Molecular Weight: 3182.05 g/mol
• Exact Mass: 3176.72
• IUPAC Name: 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine
• SMILES: COc1ccc(Cn2nc(C)c3cc(-c4cc(F)c(CC(=O)Nc5cnc(C)c(C(F)(F)F)c5)cc4F)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(Br)cnc32)cc1.Cc1[nH]nc2ncc(Br)cc12.Cc1ncc(N)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4n[nH]c(C)c4c3)cc2F)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2cc(F)c(Br)cc2F)cc1C(F)(F)F.O=C(O)Cc1cc(F)c(Br)cc1F
• InChI: InChI=1S/C30H24F5N5O2.C22H16F5N5O.2C21H26BN3O3.C15H10BrF5N2O.C15H14BrN3O.C8H5BrF2O2.C7H6BrN3.C7H7F3N2/c1-16-23-8-20(13-37-29(23)40(39-16)15-18-4-6-22(42-3)7-5-18)24-12-26(31)19(9-27(24)32)10-28(41)38-21-11-25(30(33,34)35)17(2)36-14-21;1-10-15-3-13(8-29-21(15)32-31-10)16-7-18(23)12(4-19(16)24)5-20(33)30-14-6-17(22(25,26)27)11(2)28-9-14;2*1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;1-7-10(15(19,20)21)4-9(6-22-7)23-14(24)3-8-2-13(18)11(16)5-12(8)17;1-10-14-7-12(16)8-17-15(14)19(18-10)9-11-3-5-13(20-2)6-4-11;9-5-3-6(10)4(1-7(5)11)2-8(12)13;1-4-6-2-5(8)3-9-7(6)11-10-4;1-4-6(7(8,9)10)2-5(11)3-12-4/h4-9,11-14H,10,15H2,1-3H3,(H,38,41);3-4,6-9H,5H2,1-2H3,(H,30,33)(H,29,31,32);2*7-12H,13H2,1-6H3;2,4-6H,3H2,1H3,(H,23,24);3-8H,9H2,1-2H3;1,3H,2H2,(H,12,13);2-3H,1H3,(H,9,10,11);2-3H,11H2,1H3
• InChIKey: FYUPCQNEMCRGJQ-UHFFFAOYSA-N
• XLogP: 32.52
• TPSA: 482.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3182.05
LogP ≤ 5	32.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine?

The IUPAC name of 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine (CID 158182850) is 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine.

What is the SMILES notation for 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine?

The canonical SMILES for 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine is COc1ccc(Cn2nc(C)c3cc(-c4cc(F)c(CC(=O)Nc5cnc(C)c(C(F)(F)F)c5)cc4F)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(Br)cnc32)cc1.Cc1[nH]nc2ncc(Br)cc12.Cc1ncc(N)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4n[nH]c(C)c4c3)cc2F)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2cc(F)c(Br)cc2F)cc1C(F)(F)F.O=C(O)Cc1cc(F)c(Br)cc1F.

What is the InChIKey of 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine?

The InChIKey is FYUPCQNEMCRGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F5N5O2.C22H16F5N5O.2C21H26BN3O3.C15H10BrF5N2O.C15H14BrN3O.C8H5BrF2O2.C7H6BrN3.C7H7F3N2/c1-16-23-8-20(13-37-29(23)40(39-16)15-18-4-6-22(42-3)7-5-18)24-12-26(31)19(9-27(24)32)10-28(41)38-21-11-25(30(33,34)35)17(2)36-14-21;1-10-15-3-13(8-29-21(15)32-31-10)16-7-18(23)12(4-19(16)24)5-20(33)30-14-6-17(22(25,26)27)11(2)28-9-14;2*1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;1-7-10(15(19,20)21)4-9(6-22-7)23-14(24)3-8-2-13(18)11(16)5-12(8)17;1-10-14-7-12(16)8-17-15(14)19(18-10)9-11-3-5-13(20-2)6-4-11;9-5-3-6(10)4(1-7(5)11)2-8(12)13;1-4-6-2-5(8)3-9-7(6)11-10-4;1-4-6(7(8,9)10)2-5(11)3-12-4/h4-9,11-14H,10,15H2,1-3H3,(H,38,41);3-4,6-9H,5H2,1-2H3,(H,30,33)(H,29,31,32);2*7-12H,13H2,1-6H3;2,4-6H,3H2,1H3,(H,23,24);3-8H,9H2,1-2H3;1,3H,2H2,(H,12,13);2-3H,1H3,(H,9,10,11);2-3H,11H2,1H3.

What are the key properties of 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine?

2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 3182.05 g/mol, XLogP of 32.52, 27 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 158182850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).