4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid

C26H19ClF3N5O2 — CID 129315719

IUPAC4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H18ClN5.C2HF3O2/c25-21-8-6-17(7-9-21)15-30-16-20(13-28-30)19-10-11-26-22(12-19)24-27-14-23(29-24)18-4-2-1-3-5-18;3-2(4,5)1(6)7/h1-14,16H,15H2,(H,27,29);(H,6,7)
InChIKeyDYYGUQYBJFWLOC-UHFFFAOYSA-N
MW525.92 g/mol
LogP6.34
Rot. Bonds5

About 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid

4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid (PubChem CID 129315719) has the molecular formula C26H19ClF3N5O2 and a molecular weight of 525.92 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
PubChem CID129315719
Molecular FormulaC26H19ClF3N5O2
Molecular Weight525.92 g/mol
Exact Mass525.12
IUPAC Name4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H18ClN5.C2HF3O2/c25-21-8-6-17(7-9-21)15-30-16-20(13-28-30)19-10-11-26-22(12-19)24-27-14-23(29-24)18-4-2-1-3-5-18;3-2(4,5)1(6)7/h1-14,16H,15H2,(H,27,29);(H,6,7)
InChIKeyDYYGUQYBJFWLOC-UHFFFAOYSA-N
XLogP6.34
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.92
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid (CID 129315719) is 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid is Clc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is DYYGUQYBJFWLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5.C2HF3O2/c25-21-8-6-17(7-9-21)15-30-16-20(13-28-30)19-10-11-26-22(12-19)24-27-14-23(29-24)18-4-2-1-3-5-18;3-2(4,5)1(6)7/h1-14,16H,15H2,(H,27,29);(H,6,7).
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 525.92 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129315719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).