2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C21H19F4N5O2 — CID 147899183

IUPAC2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCOc1cccc(F)c1CCc1ccc(-c2cn(CCO)nc2C(F)(F)F)c2nncn12
InChIInChI=1S/C21H19F4N5O2/c1-32-18-4-2-3-17(22)15(18)8-6-13-5-7-14(20-27-26-12-30(13)20)16-11-29(9-10-31)28-19(16)21(23,24)25/h2-5,7,11-12,31H,6,8-10H2,1H3
InChIKeyIDXWHKMZZWXPLR-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.54
Rot. Bonds7

About 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 147899183) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID147899183
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC Name2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCOc1cccc(F)c1CCc1ccc(-c2cn(CCO)nc2C(F)(F)F)c2nncn12
InChIInChI=1S/C21H19F4N5O2/c1-32-18-4-2-3-17(22)15(18)8-6-13-5-7-14(20-27-26-12-30(13)20)16-11-29(9-10-31)28-19(16)21(23,24)25/h2-5,7,11-12,31H,6,8-10H2,1H3
InChIKeyIDXWHKMZZWXPLR-UHFFFAOYSA-N
XLogP3.54
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mak-683
CID 121412508
Methyl substituted pyrazole, 27
CID 23648674
Methyl substituted pyrazole, 28
CID 23648676
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217
4-(3-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547715
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 162649594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 147899183) is 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is COc1cccc(F)c1CCc1ccc(-c2cn(CCO)nc2C(F)(F)F)c2nncn12.
What is the InChIKey of 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is IDXWHKMZZWXPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O2/c1-32-18-4-2-3-17(22)15(18)8-6-13-5-7-14(20-27-26-12-30(13)20)16-11-29(9-10-31)28-19(16)21(23,24)25/h2-5,7,11-12,31H,6,8-10H2,1H3.
What are the key properties of 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 449.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 147899183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).