5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine

C15H20N4O3S — CID 155790556

IUPAC5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESCS(=O)(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C15H20N4O3S/c1-23(20,21)19-8-2-3-12(10-19)11-22-13-4-5-14(16-9-13)15-6-7-17-18-15/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyUECNDNPLSBOMTF-GFCCVEGCSA-N
MW336.42 g/mol
LogP1.52
Rot. Bonds5

About 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine

5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine (PubChem CID 155790556) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
PubChem CID155790556
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESCS(=O)(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C15H20N4O3S/c1-23(20,21)19-8-2-3-12(10-19)11-22-13-4-5-14(16-9-13)15-6-7-17-18-15/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyUECNDNPLSBOMTF-GFCCVEGCSA-N
XLogP1.52
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine (CID 155790556) is 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine is CS(=O)(=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The InChIKey is UECNDNPLSBOMTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-23(20,21)19-8-2-3-12(10-19)11-22-13-4-5-14(16-9-13)15-6-7-17-18-15/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine has a molecular weight of 336.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 155790556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).