3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine

C15H19ClN4O3S — CID 129338982

IUPAC3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
SMILESCc1ncccc1O[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1
InChIInChI=1S/C15H19ClN4O3S/c1-10-13(5-4-7-17-10)23-12-6-8-20(9-12)24(21,22)14-11(2)18-19(3)15(14)16/h4-5,7,12H,6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyVJPURSAVAJWDRC-LBPRGKRZSA-N
MW370.86 g/mol
LogP1.93
Rot. Bonds4

About 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine

3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine (PubChem CID 129338982) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine.

Molecular Properties

Compound Name3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
PubChem CID129338982
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
SMILESCc1ncccc1O[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1
InChIInChI=1S/C15H19ClN4O3S/c1-10-13(5-4-7-17-10)23-12-6-8-20(9-12)24(21,22)14-11(2)18-19(3)15(14)16/h4-5,7,12H,6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyVJPURSAVAJWDRC-LBPRGKRZSA-N
XLogP1.93
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371
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
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 129328651
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
3-chloro-4-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128998573
(3R,4R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(hydroxymethyl)piperidin-3-ol
CID 56900685
4-methyl-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 129337794
(1R,6S)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 56707031
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3854256
(3aR,7aS)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 56883410
2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
CID 124741053

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine?
The IUPAC name of 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine (CID 129338982) is 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine.
What is the SMILES notation for 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine?
The canonical SMILES for 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine is Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1.
What is the InChIKey of 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine?
The InChIKey is VJPURSAVAJWDRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-10-13(5-4-7-17-10)23-12-6-8-20(9-12)24(21,22)14-11(2)18-19(3)15(14)16/h4-5,7,12H,6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine?
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine has a molecular weight of 370.86 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine is sourced from PubChem (CID 129338982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).