3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine

C13H9N3O — CID 78225553

IUPAC3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESC1=CC1c1[nH]nc2nccc(-c3ccco3)c12
InChIInChI=1S/C13H9N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-8H,(H,14,15,16)
InChIKeyXVNIAQJTVJVOGO-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.87
Rot. Bonds2

About 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine

3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 78225553) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID78225553
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESC1=CC1c1[nH]nc2nccc(-c3ccco3)c12
InChIInChI=1S/C13H9N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-8H,(H,14,15,16)
InChIKeyXVNIAQJTVJVOGO-UHFFFAOYSA-N
XLogP2.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 78225553) is 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine is C1=CC1c1[nH]nc2nccc(-c3ccco3)c12.
What is the InChIKey of 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is XVNIAQJTVJVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-2-10(17-7-1)9-5-6-14-13-11(9)12(15-16-13)8-3-4-8/h1-8H,(H,14,15,16).
What are the key properties of 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine?
3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 223.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloprop-2-en-1-yl-4-(furan-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 78225553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).