2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine

C22H17F3N4O — CID 155544904

IUPAC2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1
InChIInChI=1S/C22H17F3N4O/c1-30-21-11-8-18(12-26-21)16-4-2-15(3-5-16)13-29-14-20(27-28-29)17-6-9-19(10-7-17)22(23,24)25/h2-12,14H,13H2,1H3
InChIKeyXMICLSPUPFMDHT-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.08
Rot. Bonds5

About 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine

2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine (PubChem CID 155544904) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
PubChem CID155544904
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC Name2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1
InChIInChI=1S/C22H17F3N4O/c1-30-21-11-8-18(12-26-21)16-4-2-15(3-5-16)13-29-14-20(27-28-29)17-6-9-19(10-7-17)22(23,24)25/h2-12,14H,13H2,1H3
InChIKeyXMICLSPUPFMDHT-UHFFFAOYSA-N
XLogP5.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine 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

5-[4-[[4-(3-Chlorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine
CID 152346156
3-[1-[[4-(6-Methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]aniline
CID 155515100
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16189779
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 155536359
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
2-[2-(2''''-Trifluoromethoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395684
3-[4-(3-methoxy-4-pyridin-4-ylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CID 46220546
3-(1-(4-(2-([1,1'-biphenyl]-2-yloxy)ethyl)benzyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 86305277
3-[1-[2-[4-[(2-Phenylphenoxy)methyl]phenyl]ethyl]triazol-4-yl]pyridine
CID 86305278
3-[1-[4-[3-(2-Phenylphenoxy)propyl]phenyl]triazol-4-yl]pyridine
CID 86305328
3-[1-[8-(2-Phenylphenoxy)octyl]triazol-4-yl]pyridine
CID 86305868

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine?
The IUPAC name of 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine (CID 155544904) is 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine is COc1ccc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine?
The InChIKey is XMICLSPUPFMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-30-21-11-8-18(12-26-21)16-4-2-15(3-5-16)13-29-14-20(27-28-29)17-6-9-19(10-7-17)22(23,24)25/h2-12,14H,13H2,1H3.
What are the key properties of 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine?
2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine has a molecular weight of 410.40 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 155544904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).