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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Related Compounds

1-[3-(4-Methylpiperazin-1-yl)propyl]-4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-1,2-dihydropyridin-2-one
CID 5329471
1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
Thieno[2,3-c][1,8]naphthyridine
CID 1211811
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629551

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).