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

C17H22N4O3S — CID 155790573

IUPAC5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESO=S(=O)(C1CC1)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C17H22N4O3S/c22-25(23,15-4-5-15)21-9-1-2-13(11-21)12-24-14-3-6-16(18-10-14)17-7-8-19-20-17/h3,6-8,10,13,15H,1-2,4-5,9,11-12H2,(H,19,20)/t13-/m1/s1
InChIKeyNGIQCOCYOKPOLK-CYBMUJFWSA-N
MW362.46 g/mol
LogP2.05
Rot. Bonds6

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

5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine (PubChem CID 155790573) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
PubChem CID155790573
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESO=S(=O)(C1CC1)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C17H22N4O3S/c22-25(23,15-4-5-15)21-9-1-2-13(11-21)12-24-14-3-6-16(18-10-14)17-7-8-19-20-17/h3,6-8,10,13,15H,1-2,4-5,9,11-12H2,(H,19,20)/t13-/m1/s1
InChIKeyNGIQCOCYOKPOLK-CYBMUJFWSA-N
XLogP2.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine (CID 155790573) is 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine is O=S(=O)(C1CC1)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The InChIKey is NGIQCOCYOKPOLK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-25(23,15-4-5-15)21-9-1-2-13(11-21)12-24-14-3-6-16(18-10-14)17-7-8-19-20-17/h3,6-8,10,13,15H,1-2,4-5,9,11-12H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine?
5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine has a molecular weight of 362.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 155790573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).