7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C15H16N4S — CID 24865424

IUPAC7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESc1csc(-c2cc3nccc(C4CCCNC4)n3n2)c1
InChIInChI=1S/C15H16N4S/c1-3-11(10-16-6-1)13-5-7-17-15-9-12(18-19(13)15)14-4-2-8-20-14/h2,4-5,7-9,11,16H,1,3,6,10H2
InChIKeyVSOISRFVSXEYAB-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.92
Rot. Bonds2

About 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 24865424) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID24865424
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESc1csc(-c2cc3nccc(C4CCCNC4)n3n2)c1
InChIInChI=1S/C15H16N4S/c1-3-11(10-16-6-1)13-5-7-17-15-9-12(18-19(13)15)14-4-2-8-20-14/h2,4-5,7-9,11,16H,1,3,6,10H2
InChIKeyVSOISRFVSXEYAB-UHFFFAOYSA-N
XLogP2.92
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 24865424) is 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is c1csc(-c2cc3nccc(C4CCCNC4)n3n2)c1.
What is the InChIKey of 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VSOISRFVSXEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-11(10-16-6-1)13-5-7-17-15-9-12(18-19(13)15)14-4-2-8-20-14/h2,4-5,7-9,11,16H,1,3,6,10H2.
What are the key properties of 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 284.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24865424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).