5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

C21H24FN5O2 — CID 11538526

IUPAC5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1
InChIInChI=1S/C21H24FN5O2/c1-14-12-16(22)4-6-19(14)29-18-8-10-26(11-9-18)21-25-24-15(2)27(21)17-5-7-20(28-3)23-13-17/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyTXUAASRHJQYVLZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.47
Rot. Bonds5

About 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 11538526) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID11538526
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1
InChIInChI=1S/C21H24FN5O2/c1-14-12-16(22)4-6-19(14)29-18-8-10-26(11-9-18)21-25-24-15(2)27(21)17-5-7-20(28-3)23-13-17/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyTXUAASRHJQYVLZ-UHFFFAOYSA-N
XLogP3.47
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine 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

4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402938
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
2-[2-(2''''-Ethoxy-5-fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 10150237
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 11257380
4-[2-[3-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
2-[4-[4-(4-Methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11337030
5-[3-(4-Ethoxy-3-methylphenyl)-5-(2-methoxyethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11486351

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 11538526) is 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccc(F)cc3C)CC2)cn1.
What is the InChIKey of 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is TXUAASRHJQYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-14-12-16(22)4-6-19(14)29-18-8-10-26(11-9-18)21-25-24-15(2)27(21)17-5-7-20(28-3)23-13-17/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 397.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 11538526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).