2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine

C17H25N5O2S — CID 124977978

IUPAC2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
SMILESCC(C)n1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C17H25N5O2S/c1-13(2)22-17(6-7-19-22)16-11-18-10-15(20-16)9-14-5-4-8-21(12-14)25(3,23)24/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyLQPQSXFADCKXTD-AWEZNQCLSA-N
MW363.49 g/mol
LogP2.14
Rot. Bonds5

About 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine

2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine (PubChem CID 124977978) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
PubChem CID124977978
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
SMILESCC(C)n1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C17H25N5O2S/c1-13(2)22-17(6-7-19-22)16-11-18-10-15(20-16)9-14-5-4-8-21(12-14)25(3,23)24/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyLQPQSXFADCKXTD-AWEZNQCLSA-N
XLogP2.14
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583
2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
CID 125020252
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124972197
2-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1H-pyrazol-4-yl)pyrazine
CID 124945514
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
CID 124998163
2-[[(3R)-1-methylpiperidin-3-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrazine
CID 125010660
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638
N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110101619
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine (CID 124977978) is 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine is CC(C)n1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The InChIKey is LQPQSXFADCKXTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-13(2)22-17(6-7-19-22)16-11-18-10-15(20-16)9-14-5-4-8-21(12-14)25(3,23)24/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine?
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine has a molecular weight of 363.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 124977978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).