3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine

C23H28N4O3S — CID 110149747

IUPAC3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCS(=O)(=O)c1cn[nH]c1CC1CCCN(Cc2ccccc2OCc2cccnc2)C1
InChIInChI=1S/C23H28N4O3S/c1-31(28,29)23-14-25-26-21(23)12-18-7-5-11-27(15-18)16-20-8-2-3-9-22(20)30-17-19-6-4-10-24-13-19/h2-4,6,8-10,13-14,18H,5,7,11-12,15-17H2,1H3,(H,25,26)
InChIKeyNEVBZDFLBDZCMH-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.24
Rot. Bonds8

About 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine

3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine (PubChem CID 110149747) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine
PubChem CID110149747
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCS(=O)(=O)c1cn[nH]c1CC1CCCN(Cc2ccccc2OCc2cccnc2)C1
InChIInChI=1S/C23H28N4O3S/c1-31(28,29)23-14-25-26-21(23)12-18-7-5-11-27(15-18)16-20-8-2-3-9-22(20)30-17-19-6-4-10-24-13-19/h2-4,6,8-10,13-14,18H,5,7,11-12,15-17H2,1H3,(H,25,26)
InChIKeyNEVBZDFLBDZCMH-UHFFFAOYSA-N
XLogP3.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]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

1-[(2-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106730
4-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124981670
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124973199
2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
CID 125017567
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 124986594
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124942284
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
(3R)-1-[(1-methylpyrrol-2-yl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 125022959
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidine
CID 125007759
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 110149534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
The IUPAC name of 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine (CID 110149747) is 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine is CS(=O)(=O)c1cn[nH]c1CC1CCCN(Cc2ccccc2OCc2cccnc2)C1.
What is the InChIKey of 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
The InChIKey is NEVBZDFLBDZCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-31(28,29)23-14-25-26-21(23)12-18-7-5-11-27(15-18)16-20-8-2-3-9-22(20)30-17-19-6-4-10-24-13-19/h2-4,6,8-10,13-14,18H,5,7,11-12,15-17H2,1H3,(H,25,26).
What are the key properties of 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine?
3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine has a molecular weight of 440.57 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 110149747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).