2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

C16H22N4O3S — CID 129329420

IUPAC2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cn(C(C)C)cn2)C1
InChIInChI=1S/C16H22N4O3S/c1-12(2)19-10-16(18-11-19)24(21,22)20-8-6-14(9-20)23-15-5-4-7-17-13(15)3/h4-5,7,10-12,14H,6,8-9H2,1-3H3/t14-/m1/s1
InChIKeyFINPBMBHCOQXDC-CQSZACIVSA-N
MW350.44 g/mol
LogP2.01
Rot. Bonds5

About 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 129329420) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID129329420
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cn(C(C)C)cn2)C1
InChIInChI=1S/C16H22N4O3S/c1-12(2)19-10-16(18-11-19)24(21,22)20-8-6-14(9-20)23-15-5-4-7-17-13(15)3/h4-5,7,10-12,14H,6,8-9H2,1-3H3/t14-/m1/s1
InChIKeyFINPBMBHCOQXDC-CQSZACIVSA-N
XLogP2.01
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
2-methyl-3-[1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128998572
2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129337329
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
CID 129338982
1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
CID 126951890
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122161105
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 129328651
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100778
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 129329420) is 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cn(C(C)C)cn2)C1.
What is the InChIKey of 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is FINPBMBHCOQXDC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12(2)19-10-16(18-11-19)24(21,22)20-8-6-14(9-20)23-15-5-4-7-17-13(15)3/h4-5,7,10-12,14H,6,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 350.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129329420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).