3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C24H17N3O3 — CID 11280893

IUPAC3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C24H17N3O3/c28-24(27-18-6-8-20(9-7-18)30-19-4-2-1-3-5-19)17-12-21-22(16-10-11-29-15-16)14-26-23(21)25-13-17/h1-15H,(H,25,26)(H,27,28)
InChIKeyYKPBBIFXWOLOGY-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.87
Rot. Bonds5

About 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 11280893) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID11280893
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C24H17N3O3/c28-24(27-18-6-8-20(9-7-18)30-19-4-2-1-3-5-19)17-12-21-22(16-10-11-29-15-16)14-26-23(21)25-13-17/h1-15H,(H,25,26)(H,27,28)
InChIKeyYKPBBIFXWOLOGY-UHFFFAOYSA-N
XLogP5.87
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 11280893) is 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is YKPBBIFXWOLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-24(27-18-6-8-20(9-7-18)30-19-4-2-1-3-5-19)17-12-21-22(16-10-11-29-15-16)14-26-23(21)25-13-17/h1-15H,(H,25,26)(H,27,28).
What are the key properties of 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 11280893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).