6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H9FN8S — CID 170313904

IUPAC6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2c(F)ccc3ccsc23)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C15H9FN8S/c16-10-2-1-7-3-4-25-12(7)11(10)8-5-18-15-9(14-20-22-23-21-14)6-19-24(15)13(8)17/h1-6H,17H2,(H,20,21,22,23)
InChIKeyPBLUWWATPVUEQQ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.51
Rot. Bonds2

About 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170313904) has the molecular formula C15H9FN8S and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170313904
Molecular FormulaC15H9FN8S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2c(F)ccc3ccsc23)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C15H9FN8S/c16-10-2-1-7-3-4-25-12(7)11(10)8-5-18-15-9(14-20-22-23-21-14)6-19-24(15)13(8)17/h1-6H,17H2,(H,20,21,22,23)
InChIKeyPBLUWWATPVUEQQ-UHFFFAOYSA-N
XLogP2.51
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 170313904) is 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2c(F)ccc3ccsc23)cnc2c(-c3nn[nH]n3)cnn12.
What is the InChIKey of 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PBLUWWATPVUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN8S/c16-10-2-1-7-3-4-25-12(7)11(10)8-5-18-15-9(14-20-22-23-21-14)6-19-24(15)13(8)17/h1-6H,17H2,(H,20,21,22,23).
What are the key properties of 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-1-benzothiophen-7-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170313904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).