3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine

C16H11N5 — CID 5329454

IUPAC3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnc3c(-c4ccncc4)cnn3c2)ccn1
InChIInChI=1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H
InChIKeyZLISHOMLHVNDJG-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.85
Rot. Bonds2

About 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine

3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329454) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329454
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnc3c(-c4ccncc4)cnn3c2)ccn1
InChIInChI=1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H
InChIKeyZLISHOMLHVNDJG-UHFFFAOYSA-N
XLogP2.85
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329454) is 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine is c1cc(-c2cnc3c(-c4ccncc4)cnn3c2)ccn1.
What is the InChIKey of 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZLISHOMLHVNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H.
What are the key properties of 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 273.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).