2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine

C13H16N4O2S — CID 124993531

IUPAC2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C13H16N4O2S/c1-20(18,19)17-9-3-6-13(17)12-5-2-4-10(15-12)11-7-8-14-16-11/h2,4-5,7-8,13H,3,6,9H2,1H3,(H,14,16)/t13-/m1/s1
InChIKeyPYHXSSZNOGHAJP-CYBMUJFWSA-N
MW292.36 g/mol
LogP1.57
Rot. Bonds3

About 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine

2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine (PubChem CID 124993531) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
PubChem CID124993531
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C13H16N4O2S/c1-20(18,19)17-9-3-6-13(17)12-5-2-4-10(15-12)11-7-8-14-16-11/h2,4-5,7-8,13H,3,6,9H2,1H3,(H,14,16)/t13-/m1/s1
InChIKeyPYHXSSZNOGHAJP-CYBMUJFWSA-N
XLogP1.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
CID 175658463
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110131868
3-[6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124969408
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-[(3S)-1-methylpiperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124641610
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110102004
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 124959185

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine (CID 124993531) is 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine is CS(=O)(=O)N1CCC[C@@H]1c1cccc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine?
The InChIKey is PYHXSSZNOGHAJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-20(18,19)17-9-3-6-13(17)12-5-2-4-10(15-12)11-7-8-14-16-11/h2,4-5,7-8,13H,3,6,9H2,1H3,(H,14,16)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine?
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine has a molecular weight of 292.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 124993531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).