6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

C15H10N4S — CID 5329467

IUPAC6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnc3c(-c4ccsc4)cnn3c2)ccn1
InChIInChI=1S/C15H10N4S/c1-4-16-5-2-11(1)13-7-17-15-14(8-18-19(15)9-13)12-3-6-20-10-12/h1-10H
InChIKeyVRHNKAXZHXPLGK-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.52
Rot. Bonds2

About 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329467) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329467
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnc3c(-c4ccsc4)cnn3c2)ccn1
InChIInChI=1S/C15H10N4S/c1-4-16-5-2-11(1)13-7-17-15-14(8-18-19(15)9-13)12-3-6-20-10-12/h1-10H
InChIKeyVRHNKAXZHXPLGK-UHFFFAOYSA-N
XLogP3.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (CID 5329467) is 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is c1cc(-c2cnc3c(-c4ccsc4)cnn3c2)ccn1.
What is the InChIKey of 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VRHNKAXZHXPLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-4-16-5-2-11(1)13-7-17-15-14(8-18-19(15)9-13)12-3-6-20-10-12/h1-10H.
What are the key properties of 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 278.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).