5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine

C23H15F2NO — CID 22320578

IUPAC5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine
SMILESFc1ccc(Cc2cnc3oc(C#CCc4ccccc4)cc3c2)cc1F
InChIInChI=1S/C23H15F2NO/c24-21-10-9-17(13-22(21)25)11-18-12-19-14-20(27-23(19)26-15-18)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-15H,7,11H2
InChIKeyJMJMSIUVTAVRTO-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.29
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine

5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine (PubChem CID 22320578) has the molecular formula C23H15F2NO and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine
PubChem CID22320578
Molecular FormulaC23H15F2NO
Molecular Weight359.38 g/mol
Exact Mass359.11
IUPAC Name5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine
SMILESFc1ccc(Cc2cnc3oc(C#CCc4ccccc4)cc3c2)cc1F
InChIInChI=1S/C23H15F2NO/c24-21-10-9-17(13-22(21)25)11-18-12-19-14-20(27-23(19)26-15-18)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-15H,7,11H2
InChIKeyJMJMSIUVTAVRTO-UHFFFAOYSA-N
XLogP5.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine (CID 22320578) is 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine is Fc1ccc(Cc2cnc3oc(C#CCc4ccccc4)cc3c2)cc1F.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine?
The InChIKey is JMJMSIUVTAVRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO/c24-21-10-9-17(13-22(21)25)11-18-12-19-14-20(27-23(19)26-15-18)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-15H,7,11H2.
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine?
5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine has a molecular weight of 359.38 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine is sourced from PubChem (CID 22320578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).