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

C21H13BrFN5 — CID 59137310

IUPAC3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2nc(-c3cnc4[nH]cc(Br)c4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H13BrFN5/c22-17-11-26-21-16(17)9-14(10-25-21)19-18(12-5-7-24-8-6-12)27-20(28-19)13-1-3-15(23)4-2-13/h1-11H,(H,25,26)(H,27,28)
InChIKeyZTCVGXMREPLCJY-UHFFFAOYSA-N
MW434.27 g/mol
LogP5.58
Rot. Bonds3

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

3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59137310) has the molecular formula C21H13BrFN5 and a molecular weight of 434.27 g/mol. Its IUPAC name is 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59137310
Molecular FormulaC21H13BrFN5
Molecular Weight434.27 g/mol
Exact Mass433.03
IUPAC Name3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2nc(-c3cnc4[nH]cc(Br)c4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H13BrFN5/c22-17-11-26-21-16(17)9-14(10-25-21)19-18(12-5-7-24-8-6-12)27-20(28-19)13-1-3-15(23)4-2-13/h1-11H,(H,25,26)(H,27,28)
InChIKeyZTCVGXMREPLCJY-UHFFFAOYSA-N
XLogP5.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.27
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 59137310) is 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2nc(-c3cnc4[nH]cc(Br)c4c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZTCVGXMREPLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrFN5/c22-17-11-26-21-16(17)9-14(10-25-21)19-18(12-5-7-24-8-6-12)27-20(28-19)13-1-3-15(23)4-2-13/h1-11H,(H,25,26)(H,27,28).
What are the key properties of 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 434.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59137310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).