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

C20H19N3O — CID 118493227

IUPAC3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C20H19N3O/c1-20(2,3)15-6-4-13(5-7-15)16-12-24-18-9-8-17(23-19(16)18)14-10-21-22-11-14/h4-12H,1-3H3,(H,21,22)
InChIKeyOOLXXVMFVSTNLJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.18
Rot. Bonds2

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

3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 118493227) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID118493227
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C20H19N3O/c1-20(2,3)15-6-4-13(5-7-15)16-12-24-18-9-8-17(23-19(16)18)14-10-21-22-11-14/h4-12H,1-3H3,(H,21,22)
InChIKeyOOLXXVMFVSTNLJ-UHFFFAOYSA-N
XLogP5.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 118493227) is 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is CC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is OOLXXVMFVSTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-20(2,3)15-6-4-13(5-7-15)16-12-24-18-9-8-17(23-19(16)18)14-10-21-22-11-14/h4-12H,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 317.39 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 118493227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).