2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline

C16H11N5 — CID 3480827

IUPAC2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline
SMILESc1ccc2nc(-c3cn[nH]c3-c3ccncc3)cnc2c1
InChIInChI=1S/C16H11N5/c1-2-4-14-13(3-1)18-10-15(20-14)12-9-19-21-16(12)11-5-7-17-8-6-11/h1-10H,(H,19,21)
InChIKeyRILVBERWPABVKJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.08
Rot. Bonds2

About 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline

2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline (PubChem CID 3480827) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline.

Molecular Properties

Compound Name2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline
PubChem CID3480827
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline
SMILESc1ccc2nc(-c3cn[nH]c3-c3ccncc3)cnc2c1
InChIInChI=1S/C16H11N5/c1-2-4-14-13(3-1)18-10-15(20-14)12-9-19-21-16(12)11-5-7-17-8-6-11/h1-10H,(H,19,21)
InChIKeyRILVBERWPABVKJ-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline?
The IUPAC name of 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline (CID 3480827) is 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline.
What is the SMILES notation for 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline?
The canonical SMILES for 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline is c1ccc2nc(-c3cn[nH]c3-c3ccncc3)cnc2c1.
What is the InChIKey of 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline?
The InChIKey is RILVBERWPABVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-4-14-13(3-1)18-10-15(20-14)12-9-19-21-16(12)11-5-7-17-8-6-11/h1-10H,(H,19,21).
What are the key properties of 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline?
2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline has a molecular weight of 273.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline is sourced from PubChem (CID 3480827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).