6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

C13H9F4N5 — CID 150276265

IUPAC6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESNc1[nH]nc2nc(Nc3cccc(C(F)(F)F)c3F)ccc12
InChIInChI=1S/C13H9F4N5/c14-10-7(13(15,16)17)2-1-3-8(10)19-9-5-4-6-11(18)21-22-12(6)20-9/h1-5H,(H4,18,19,20,21,22)
InChIKeyGEPZODWSZKTIGG-UHFFFAOYSA-N
MW311.24 g/mol
LogP3.44
Rot. Bonds2

About 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 150276265) has the molecular formula C13H9F4N5 and a molecular weight of 311.24 g/mol. Its IUPAC name is 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID150276265
Molecular FormulaC13H9F4N5
Molecular Weight311.24 g/mol
Exact Mass311.08
IUPAC Name6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESNc1[nH]nc2nc(Nc3cccc(C(F)(F)F)c3F)ccc12
InChIInChI=1S/C13H9F4N5/c14-10-7(13(15,16)17)2-1-3-8(10)19-9-5-4-6-11(18)21-22-12(6)20-9/h1-5H,(H4,18,19,20,21,22)
InChIKeyGEPZODWSZKTIGG-UHFFFAOYSA-N
XLogP3.44
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (CID 150276265) is 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is Nc1[nH]nc2nc(Nc3cccc(C(F)(F)F)c3F)ccc12.
What is the InChIKey of 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is GEPZODWSZKTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N5/c14-10-7(13(15,16)17)2-1-3-8(10)19-9-5-4-6-11(18)21-22-12(6)20-9/h1-5H,(H4,18,19,20,21,22).
What are the key properties of 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 311.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 150276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).