5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine

C23H17N3O — CID 118493250

IUPAC5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4ccccc4-c4ccccc4)c3n2)cn1
InChIInChI=1S/C23H17N3O/c1-26-14-17(13-24-26)21-11-12-22-23(25-21)20(15-27-22)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyQSBNKGGRYOLZND-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.56
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine

5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine (PubChem CID 118493250) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine
PubChem CID118493250
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4ccccc4-c4ccccc4)c3n2)cn1
InChIInChI=1S/C23H17N3O/c1-26-14-17(13-24-26)21-11-12-22-23(25-21)20(15-27-22)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyQSBNKGGRYOLZND-UHFFFAOYSA-N
XLogP5.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine (CID 118493250) is 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine is Cn1cc(-c2ccc3occ(-c4ccccc4-c4ccccc4)c3n2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine?
The InChIKey is QSBNKGGRYOLZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-26-14-17(13-24-26)21-11-12-22-23(25-21)20(15-27-22)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine has a molecular weight of 351.41 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-(2-phenylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 118493250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).