N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C15H9F3N4O — CID 134189984

IUPACN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)10-7-23-12-6-8(3-4-9(10)12)20-14-13-11(21-22-14)2-1-5-19-13/h1-7H,(H2,20,21,22)
InChIKeyGPNZBIQYFBUWFR-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.47
Rot. Bonds2

About N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134189984) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134189984
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC NameN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)10-7-23-12-6-8(3-4-9(10)12)20-14-13-11(21-22-14)2-1-5-19-13/h1-7H,(H2,20,21,22)
InChIKeyGPNZBIQYFBUWFR-UHFFFAOYSA-N
XLogP4.47
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-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-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134189984) is N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is FC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is GPNZBIQYFBUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-15(17,18)10-7-23-12-6-8(3-4-9(10)12)20-14-13-11(21-22-14)2-1-5-19-13/h1-7H,(H2,20,21,22).
What are the key properties of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 318.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134189984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).