4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C95H101BBrCl3F6N30O9 — CID 158089932

About 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 158089932) has the molecular formula C95H101BBrCl3F6N30O9 and a molecular weight of 2118.12 g/mol. Its IUPAC name is 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 158089932
• Molecular Formula: C95H101BBrCl3F6N30O9
• Molecular Weight: 2118.12 g/mol
• Exact Mass: 2114.66
• IUPAC Name: 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: COc1c(N)cccc1-c1cnn(C)n1.COc1c(N)cccc1B1OC(C)(C)C(C)(C)O1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1cnn(C)n1.Cn1ncc(Br)n1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4cnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C29H27F2N9O2.C22H22ClF2N7O2.C13H20BNO3.C12H11Cl2F2N3O.C10H12N4O.C6H5N3.C3H4BrN3/c1-32-23-11-6-8-17(34-23)14-18-15-21(36-20-10-7-9-19(26(20)41-3)22-16-33-39(2)38-22)25-28(35-18)40(29(37-25)27(30)31)24-12-4-5-13-42-24;1-31-26-11-15(30-31)12-6-5-7-13(19(12)33-2)27-14-10-16(23)28-21-18(14)29-22(20(24)25)32(21)17-8-3-4-9-34-17;1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(15)11(9)16-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14-12-6-9(13-14)7-4-3-5-8(11)10(7)15-2;1-8-6-4-2-3-5(7)9-6;1-7-5-2-3(4)6-7/h6-11,15-16,24,27H,4-5,12-14H2,2-3H3,(H,35,36);5-7,10-11,17,20H,3-4,8-9H2,1-2H3,(H,27,28);6-8H,15H2,1-5H3;5,8,10H,1-4H2;3-6H,11H2,1-2H3;2-4H,(H2,7,9);2H,1H3
• InChIKey: FNZBJROCHOEMHC-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 434.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.12
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 158089932) is 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is COc1c(N)cccc1-c1cnn(C)n1.COc1c(N)cccc1B1OC(C)(C)C(C)(C)O1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1cnn(C)n1.Cn1ncc(Br)n1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4cnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

What is the InChIKey of 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is FNZBJROCHOEMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N9O2.C22H22ClF2N7O2.C13H20BNO3.C12H11Cl2F2N3O.C10H12N4O.C6H5N3.C3H4BrN3/c1-32-23-11-6-8-17(34-23)14-18-15-21(36-20-10-7-9-19(26(20)41-3)22-16-33-39(2)38-22)25-28(35-18)40(29(37-25)27(30)31)24-12-4-5-13-42-24;1-31-26-11-15(30-31)12-6-5-7-13(19(12)33-2)27-14-10-16(23)28-21-18(14)29-22(20(24)25)32(21)17-8-3-4-9-34-17;1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(15)11(9)16-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14-12-6-9(13-14)7-4-3-5-8(11)10(7)15-2;1-8-6-4-2-3-5(7)9-6;1-7-5-2-3(4)6-7/h6-11,15-16,24,27H,4-5,12-14H2,2-3H3,(H,35,36);5-7,10-11,17,20H,3-4,8-9H2,1-2H3,(H,27,28);6-8H,15H2,1-5H3;5,8,10H,1-4H2;3-6H,11H2,1-2H3;2-4H,(H2,7,9);2H,1H3.

What are the key properties of 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2118.12 g/mol, XLogP of 20.24, 20 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-methyltriazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(2-methyltriazol-4-yl)aniline;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 158089932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).