3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol

C20H12F4N2O — CID 162650467

IUPAC3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol
SMILESOc1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)c(F)c1
InChIInChI=1S/C20H12F4N2O/c21-18-10-15(27)4-5-16(18)17-11-25-26-7-6-13(9-19(17)26)12-2-1-3-14(8-12)20(22,23)24/h1-11,27H
InChIKeySGXOMVOTYURMIP-UHFFFAOYSA-N
MW372.32 g/mol
LogP5.53
Rot. Bonds2

About 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol

3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol (PubChem CID 162650467) has the molecular formula C20H12F4N2O and a molecular weight of 372.32 g/mol. Its IUPAC name is 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol
PubChem CID162650467
Molecular FormulaC20H12F4N2O
Molecular Weight372.32 g/mol
Exact Mass372.09
IUPAC Name3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol
SMILESOc1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)c(F)c1
InChIInChI=1S/C20H12F4N2O/c21-18-10-15(27)4-5-16(18)17-11-25-26-7-6-13(9-19(17)26)12-2-1-3-14(8-12)20(22,23)24/h1-11,27H
InChIKeySGXOMVOTYURMIP-UHFFFAOYSA-N
XLogP5.53
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(Pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 24824066
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
[3-(3-Hydroxy-5-methylphenyl)-4-(2-(pyridin-3-yl)pyridin-4-yl)-pyrazol-1-yl]acetonitrile
CID 44626349
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483027
5-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 127044563
5-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 127044564
3,5-Difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol
CID 135224486
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135433989
4-[2-Ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol
CID 142401384
3,5-Difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol
CID 142401400
4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol (CID 162650467) is 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol is Oc1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol?
The InChIKey is SGXOMVOTYURMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O/c21-18-10-15(27)4-5-16(18)17-11-25-26-7-6-13(9-19(17)26)12-2-1-3-14(8-12)20(22,23)24/h1-11,27H.
What are the key properties of 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol?
3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol has a molecular weight of 372.32 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]phenol is sourced from PubChem (CID 162650467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).