5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C16H10F3N5O2S2 — CID 71138186

IUPAC5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESO=S(=O)(c1cccc(Nc2nc(-c3cccs3)nc3cn[nH]c23)c1)C(F)(F)F
InChIInChI=1S/C16H10F3N5O2S2/c17-16(18,19)28(25,26)10-4-1-3-9(7-10)21-15-13-11(8-20-24-13)22-14(23-15)12-5-2-6-27-12/h1-8H,(H,20,24)(H,21,22,23)
InChIKeyZZXQOJAXIACGOL-UHFFFAOYSA-N
MW425.42 g/mol
LogP4.12
Rot. Bonds4

About 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 71138186) has the molecular formula C16H10F3N5O2S2 and a molecular weight of 425.42 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID71138186
Molecular FormulaC16H10F3N5O2S2
Molecular Weight425.42 g/mol
Exact Mass425.02
IUPAC Name5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESO=S(=O)(c1cccc(Nc2nc(-c3cccs3)nc3cn[nH]c23)c1)C(F)(F)F
InChIInChI=1S/C16H10F3N5O2S2/c17-16(18,19)28(25,26)10-4-1-3-9(7-10)21-15-13-11(8-20-24-13)22-14(23-15)12-5-2-6-27-12/h1-8H,(H,20,24)(H,21,22,23)
InChIKeyZZXQOJAXIACGOL-UHFFFAOYSA-N
XLogP4.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-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 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 71138186) is 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is O=S(=O)(c1cccc(Nc2nc(-c3cccs3)nc3cn[nH]c23)c1)C(F)(F)F.
What is the InChIKey of 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZZXQOJAXIACGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2S2/c17-16(18,19)28(25,26)10-4-1-3-9(7-10)21-15-13-11(8-20-24-13)22-14(23-15)12-5-2-6-27-12/h1-8H,(H,20,24)(H,21,22,23).
What are the key properties of 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 425.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[3-(trifluoromethylsulfonyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 71138186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).