5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile

C15H12N4O — CID 76847130

IUPAC5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
SMILESCCOc1nc2c(-c3ccccc3)n[nH]c2cc1C#N
InChIInChI=1S/C15H12N4O/c1-2-20-15-11(9-16)8-12-14(17-15)13(19-18-12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,18,19)
InChIKeyJGLLXCTVYSZRBG-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.90
Rot. Bonds3

About 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile

5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile (PubChem CID 76847130) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
PubChem CID76847130
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
SMILESCCOc1nc2c(-c3ccccc3)n[nH]c2cc1C#N
InChIInChI=1S/C15H12N4O/c1-2-20-15-11(9-16)8-12-14(17-15)13(19-18-12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,18,19)
InChIKeyJGLLXCTVYSZRBG-UHFFFAOYSA-N
XLogP2.90
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile (CID 76847130) is 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile is CCOc1nc2c(-c3ccccc3)n[nH]c2cc1C#N.
What is the InChIKey of 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The InChIKey is JGLLXCTVYSZRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-20-15-11(9-16)8-12-14(17-15)13(19-18-12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 76847130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).