5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine

C23H28N4O — CID 92616703

IUPAC5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
SMILESCOc1ccc(Cc2ccc(C3CCN(Cc4ccnn4C)CC3)nc2)cc1
InChIInChI=1S/C23H28N4O/c1-26-21(9-12-25-26)17-27-13-10-20(11-14-27)23-8-5-19(16-24-23)15-18-3-6-22(28-2)7-4-18/h3-9,12,16,20H,10-11,13-15,17H2,1-2H3
InChIKeyUFLZVJDMVQZIJG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.79
Rot. Bonds6

About 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine

5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine (PubChem CID 92616703) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
PubChem CID92616703
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
SMILESCOc1ccc(Cc2ccc(C3CCN(Cc4ccnn4C)CC3)nc2)cc1
InChIInChI=1S/C23H28N4O/c1-26-21(9-12-25-26)17-27-13-10-20(11-14-27)23-8-5-19(16-24-23)15-18-3-6-22(28-2)7-4-18/h3-9,12,16,20H,10-11,13-15,17H2,1-2H3
InChIKeyUFLZVJDMVQZIJG-UHFFFAOYSA-N
XLogP3.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
CID 110093308
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine
CID 75439131
5-benzyl-2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine
CID 129459414
1-ethyl-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955764
3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole
CID 110093349
2-(2-ethylimidazol-1-yl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine
CID 95838605
5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
CID 141381468
4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981142
5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 110261448
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026
6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911074
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
CID 74250827

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine (CID 92616703) is 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine is COc1ccc(Cc2ccc(C3CCN(Cc4ccnn4C)CC3)nc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?
The InChIKey is UFLZVJDMVQZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26-21(9-12-25-26)17-27-13-10-20(11-14-27)23-8-5-19(16-24-23)15-18-3-6-22(28-2)7-4-18/h3-9,12,16,20H,10-11,13-15,17H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?
5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine has a molecular weight of 376.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 92616703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).