N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H10F5N5S2 — CID 66574800

IUPACN-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFS(F)(F)(F)(F)c1ccc(Nc2nc(-c3ccsc3)nc3cn[nH]c23)cc1
InChIInChI=1S/C15H10F5N5S2/c16-27(17,18,19,20)11-3-1-10(2-4-11)22-15-13-12(7-21-25-13)23-14(24-15)9-5-6-26-8-9/h1-8H,(H,21,25)(H,22,23,24)
InChIKeyZPRJKYVYZVJDRE-UHFFFAOYSA-N
MW419.40 g/mol
LogP6.48
Rot. Bonds4

About N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 66574800) has the molecular formula C15H10F5N5S2 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID66574800
Molecular FormulaC15H10F5N5S2
Molecular Weight419.40 g/mol
Exact Mass419.03
IUPAC NameN-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFS(F)(F)(F)(F)c1ccc(Nc2nc(-c3ccsc3)nc3cn[nH]c23)cc1
InChIInChI=1S/C15H10F5N5S2/c16-27(17,18,19,20)11-3-1-10(2-4-11)22-15-13-12(7-21-25-13)23-14(24-15)9-5-6-26-8-9/h1-8H,(H,21,25)(H,22,23,24)
InChIKeyZPRJKYVYZVJDRE-UHFFFAOYSA-N
XLogP6.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]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 N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 66574800) is N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is FS(F)(F)(F)(F)c1ccc(Nc2nc(-c3ccsc3)nc3cn[nH]c23)cc1.
What is the InChIKey of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZPRJKYVYZVJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N5S2/c16-27(17,18,19,20)11-3-1-10(2-4-11)22-15-13-12(7-21-25-13)23-14(24-15)9-5-6-26-8-9/h1-8H,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 419.40 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-thiophen-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 66574800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).