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

C20H19N3O — CID 162672511

IUPAC3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCC(C)Cc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C20H19N3O/c1-13(2)9-14-3-5-15(6-4-14)17-12-24-19-8-7-18(23-20(17)19)16-10-21-22-11-16/h3-8,10-13H,9H2,1-2H3,(H,21,22)
InChIKeyCIUGVTHIGIBJMT-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.08
Rot. Bonds4

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

3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162672511) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162672511
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCC(C)Cc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
InChIInChI=1S/C20H19N3O/c1-13(2)9-14-3-5-15(6-4-14)17-12-24-19-8-7-18(23-20(17)19)16-10-21-22-11-16/h3-8,10-13H,9H2,1-2H3,(H,21,22)
InChIKeyCIUGVTHIGIBJMT-UHFFFAOYSA-N
XLogP5.08
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 162672511) is 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is CC(C)Cc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is CIUGVTHIGIBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13(2)9-14-3-5-15(6-4-14)17-12-24-19-8-7-18(23-20(17)19)16-10-21-22-11-16/h3-8,10-13H,9H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 317.39 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162672511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).