3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine

C23H17N3O — CID 162670148

IUPAC3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESc1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1
InChIInChI=1S/C23H17N3O/c1-2-4-16(5-3-1)12-17-6-8-18(9-7-17)20-15-27-22-11-10-21(26-23(20)22)19-13-24-25-14-19/h1-11,13-15H,12H2,(H,24,25)
InChIKeyJOZUGIHTSIWTIK-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.48
Rot. Bonds4

About 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine

3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162670148) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162670148
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESc1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1
InChIInChI=1S/C23H17N3O/c1-2-4-16(5-3-1)12-17-6-8-18(9-7-17)20-15-27-22-11-10-21(26-23(20)22)19-13-24-25-14-19/h1-11,13-15H,12H2,(H,24,25)
InChIKeyJOZUGIHTSIWTIK-UHFFFAOYSA-N
XLogP5.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 162670148) is 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is c1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1.
What is the InChIKey of 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is JOZUGIHTSIWTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-4-16(5-3-1)12-17-6-8-18(9-7-17)20-15-27-22-11-10-21(26-23(20)22)19-13-24-25-14-19/h1-11,13-15H,12H2,(H,24,25).
What are the key properties of 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 351.41 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162670148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).