[2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine

C50H30BClF14N10O2 — CID 169425622

About [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine

[2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine (PubChem CID 169425622) has the molecular formula C50H30BClF14N10O2 and a molecular weight of 1115.09 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
• PubChem CID: 169425622
• Molecular Formula: C50H30BClF14N10O2
• Molecular Weight: 1115.09 g/mol
• Exact Mass: 1114.21
• IUPAC Name: [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
• SMILES: Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.Fc1ccccc1-c1nc2ccn(Cc3ccc(Cl)nn3)cc-2n1.OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C25H14F7N5.C17H11ClFN5.C8H5BF6O2/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32;18-16-6-5-11(22-23-16)9-24-8-7-14-15(10-24)21-17(20-14)12-3-1-2-4-13(12)19;10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-11,13H,12H2;1-8,10H,9H2;1-3,16-17H
• InChIKey: HEBSNJDJEDUNOH-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 153.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.09
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

The IUPAC name of [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine (CID 169425622) is [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine.

What is the SMILES notation for [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

The canonical SMILES for [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine is Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.Fc1ccccc1-c1nc2ccn(Cc3ccc(Cl)nn3)cc-2n1.OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F.

What is the InChIKey of [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

The InChIKey is HEBSNJDJEDUNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F7N5.C17H11ClFN5.C8H5BF6O2/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32;18-16-6-5-11(22-23-16)9-24-8-7-14-15(10-24)21-17(20-14)12-3-1-2-4-13(12)19;10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-11,13H,12H2;1-8,10H,9H2;1-3,16-17H.

What are the key properties of [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

[2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine has a molecular weight of 1115.09 g/mol, XLogP of 11.82, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-bis(trifluoromethyl)phenyl]boronic acid;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;5-[(6-chloropyridazin-3-yl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 169425622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).