2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine

C13H16N4O2S — CID 95838660

IUPAC2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCS(=O)(=O)N1CCC[C@H]1c1cccc(-n2ccnc2)n1
InChIInChI=1S/C13H16N4O2S/c1-20(18,19)17-8-3-5-12(17)11-4-2-6-13(15-11)16-9-7-14-10-16/h2,4,6-7,9-10,12H,3,5,8H2,1H3/t12-/m0/s1
InChIKeySHDBKGVEEOMJMN-LBPRGKRZSA-N
MW292.36 g/mol
LogP1.36
Rot. Bonds3

About 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine

2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine (PubChem CID 95838660) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
PubChem CID95838660
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCS(=O)(=O)N1CCC[C@H]1c1cccc(-n2ccnc2)n1
InChIInChI=1S/C13H16N4O2S/c1-20(18,19)17-8-3-5-12(17)11-4-2-6-13(15-11)16-9-7-14-10-16/h2,4,6-7,9-10,12H,3,5,8H2,1H3/t12-/m0/s1
InChIKeySHDBKGVEEOMJMN-LBPRGKRZSA-N
XLogP1.36
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95838700
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110131868
2-imidazol-1-yl-6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 110258092
2-imidazol-1-yl-6-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95826941
2-imidazol-1-yl-6-[(2S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826940
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099097
2-imidazol-1-yl-6-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 110258101
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine (CID 95838660) is 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine is CS(=O)(=O)N1CCC[C@H]1c1cccc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is SHDBKGVEEOMJMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-20(18,19)17-8-3-5-12(17)11-4-2-6-13(15-11)16-9-7-14-10-16/h2,4,6-7,9-10,12H,3,5,8H2,1H3/t12-/m0/s1.
What are the key properties of 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 292.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95838660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).