7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C45H48BBrF6N10O6 — CID 159482543

About 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159482543) has the molecular formula C45H48BBrF6N10O6 and a molecular weight of 1029.65 g/mol. Its IUPAC name is 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159482543
• Molecular Formula: C45H48BBrF6N10O6
• Molecular Weight: 1029.65 g/mol
• Exact Mass: 1028.29
• IUPAC Name: 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C.CCn1cnc2c(-c3cnn(C)c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21.CCn1cnc2c(Br)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C19H16F3N5O2.C15H11BrF3N3O2.C10H17BN2O2.CH4/c1-3-26-11-23-16-15(12-8-24-25(2)9-12)10-27(18(28)17(16)26)13-4-6-14(7-5-13)29-19(20,21)22;1-2-21-8-20-12-11(16)7-22(14(23)13(12)21)9-3-5-10(6-4-9)24-15(17,18)19;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;/h4-11H,3H2,1-2H3;3-8H,2H2,1H3;6-7H,1-5H3;1H4
• InChIKey: LXEHTYDYYFDQNM-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 152.20 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.65
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159482543) is 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.CCn1cnc2c(-c3cnn(C)c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21.CCn1cnc2c(Br)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LXEHTYDYYFDQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2.C15H11BrF3N3O2.C10H17BN2O2.CH4/c1-3-26-11-23-16-15(12-8-24-25(2)9-12)10-27(18(28)17(16)26)13-4-6-14(7-5-13)29-19(20,21)22;1-2-21-8-20-12-11(16)7-22(14(23)13(12)21)9-3-5-10(6-4-9)24-15(17,18)19;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;/h4-11H,3H2,1-2H3;3-8H,2H2,1H3;6-7H,1-5H3;1H4.

What are the key properties of 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1029.65 g/mol, XLogP of 8.73, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-ethyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159482543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).