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

C18H25N5O3S — CID 155790726

IUPAC2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine
SMILESO=S(=O)(N1CCCC1)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C18H25N5O3S/c24-27(25,22-9-1-2-10-22)23-11-3-4-15(13-23)14-26-16-5-6-17(19-12-16)18-7-8-20-21-18/h5-8,12,15H,1-4,9-11,13-14H2,(H,20,21)/t15-/m1/s1
InChIKeyUEZIKOGFOFOLGS-OAHLLOKOSA-N
MW391.50 g/mol
LogP1.90
Rot. Bonds6

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

2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine (PubChem CID 155790726) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine
PubChem CID155790726
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine
SMILESO=S(=O)(N1CCCC1)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C18H25N5O3S/c24-27(25,22-9-1-2-10-22)23-11-3-4-15(13-23)14-26-16-5-6-17(19-12-16)18-7-8-20-21-18/h5-8,12,15H,1-4,9-11,13-14H2,(H,20,21)/t15-/m1/s1
InChIKeyUEZIKOGFOFOLGS-OAHLLOKOSA-N
XLogP1.90
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine with MolForge

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Related Compounds

5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790573
(3S)-N,N-dimethyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-sulfonamide
CID 155790733
4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
CID 155790566
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
4-phenoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butan-1-one
CID 155790747
methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
CID 137364365
1,1-dimethyl-3-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]urea
CID 155790633
3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one
CID 155790737
N-cyclopropyl-N-methyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 130360202
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
CID 155790767
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine (CID 155790726) is 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine is O=S(=O)(N1CCCC1)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine?
The InChIKey is UEZIKOGFOFOLGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O3S/c24-27(25,22-9-1-2-10-22)23-11-3-4-15(13-23)14-26-16-5-6-17(19-12-16)18-7-8-20-21-18/h5-8,12,15H,1-4,9-11,13-14H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine?
2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine has a molecular weight of 391.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155790726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).