3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline

C26H19F4N5O — CID 21076960

IUPAC3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)c1
InChIInChI=1S/C26H19F4N5O/c1-34(2)19-4-3-5-20(14-19)36-25-31-13-12-21(32-25)23-22-11-8-17(26(28,29)30)15-35(22)33-24(23)16-6-9-18(27)10-7-16/h3-15H,1-2H3
InChIKeyWRKKZZKQPJTVHN-UHFFFAOYSA-N
MW493.46 g/mol
LogP6.47
Rot. Bonds5

About 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline

3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline (PubChem CID 21076960) has the molecular formula C26H19F4N5O and a molecular weight of 493.46 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline
PubChem CID21076960
Molecular FormulaC26H19F4N5O
Molecular Weight493.46 g/mol
Exact Mass493.15
IUPAC Name3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)c1
InChIInChI=1S/C26H19F4N5O/c1-34(2)19-4-3-5-20(14-19)36-25-31-13-12-21(32-25)23-22-11-8-17(26(28,29)30)15-35(22)33-24(23)16-6-9-18(27)10-7-16/h3-15H,1-2H3
InChIKeyWRKKZZKQPJTVHN-UHFFFAOYSA-N
XLogP6.47
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.46
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline 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 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline (CID 21076960) is 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline is CN(C)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(F)(F)F)ccc34)n2)c1.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline?
The InChIKey is WRKKZZKQPJTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O/c1-34(2)19-4-3-5-20(14-19)36-25-31-13-12-21(32-25)23-22-11-8-17(26(28,29)30)15-35(22)33-24(23)16-6-9-18(27)10-7-16/h3-15H,1-2H3.
What are the key properties of 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline?
3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline has a molecular weight of 493.46 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]oxy-N,N-dimethylaniline is sourced from PubChem (CID 21076960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).