7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C26H18FN3O3 — CID 58016559

IUPAC7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2ccc(=O)n(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C26H18FN3O3/c27-18-7-11-20(12-8-18)30-24(31)15-6-17-16-23(29-25(17)30)26(32)28-19-9-13-22(14-10-19)33-21-4-2-1-3-5-21/h1-16,29H,(H,28,32)
InChIKeyLBYFMZFYQHPMLC-UHFFFAOYSA-N
MW439.45 g/mol
LogP5.50
Rot. Bonds5

About 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58016559) has the molecular formula C26H18FN3O3 and a molecular weight of 439.45 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58016559
Molecular FormulaC26H18FN3O3
Molecular Weight439.45 g/mol
Exact Mass439.13
IUPAC Name7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2ccc(=O)n(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C26H18FN3O3/c27-18-7-11-20(12-8-18)30-24(31)15-6-17-16-23(29-25(17)30)26(32)28-19-9-13-22(14-10-19)33-21-4-2-1-3-5-21/h1-16,29H,(H,28,32)
InChIKeyLBYFMZFYQHPMLC-UHFFFAOYSA-N
XLogP5.50
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.45
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58016559) is 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2ccc(=O)n(-c3ccc(F)cc3)c2[nH]1.
What is the InChIKey of 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is LBYFMZFYQHPMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O3/c27-18-7-11-20(12-8-18)30-24(31)15-6-17-16-23(29-25(17)30)26(32)28-19-9-13-22(14-10-19)33-21-4-2-1-3-5-21/h1-16,29H,(H,28,32).
What are the key properties of 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).