4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine

C29H21FN4O — CID 71451911

IUPAC4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1
InChIInChI=1S/C29H21FN4O/c1-35-22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34)
InChIKeyANKZTTJVYLPVRL-UHFFFAOYSA-N
MW460.51 g/mol
LogP7.10
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine

4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71451911) has the molecular formula C29H21FN4O and a molecular weight of 460.51 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID71451911
Molecular FormulaC29H21FN4O
Molecular Weight460.51 g/mol
Exact Mass460.17
IUPAC Name4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1
InChIInChI=1S/C29H21FN4O/c1-35-22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34)
InChIKeyANKZTTJVYLPVRL-UHFFFAOYSA-N
XLogP7.10
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 71451911) is 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ANKZTTJVYLPVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN4O/c1-35-22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 460.51 g/mol, XLogP of 7.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71451911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).