3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

C13H16N4O3S — CID 129381835

IUPAC3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCn1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cn1
InChIInChI=1S/C13H16N4O3S/c1-16-10-13(8-15-16)21(18,19)17-6-4-12(9-17)20-11-3-2-5-14-7-11/h2-3,5,7-8,10,12H,4,6,9H2,1H3/t12-/m0/s1
InChIKeyMLPLRPYLLDVJNX-LBPRGKRZSA-N
MW308.36 g/mol
LogP0.66
Rot. Bonds4

About 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine

3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 129381835) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID129381835
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCn1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cn1
InChIInChI=1S/C13H16N4O3S/c1-16-10-13(8-15-16)21(18,19)17-6-4-12(9-17)20-11-3-2-5-14-7-11/h2-3,5,7-8,10,12H,4,6,9H2,1H3/t12-/m0/s1
InChIKeyMLPLRPYLLDVJNX-LBPRGKRZSA-N
XLogP0.66
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
CID 118675975
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 129325738
7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 75507090

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 129381835) is 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is Cn1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cn1.
What is the InChIKey of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is MLPLRPYLLDVJNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-16-10-13(8-15-16)21(18,19)17-6-4-12(9-17)20-11-3-2-5-14-7-11/h2-3,5,7-8,10,12H,4,6,9H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine?
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 308.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129381835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).