2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine

C17H25N5O2S — CID 124998163

IUPAC2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1
InChIInChI=1S/C17H25N5O2S/c1-3-6-21-13-15(9-19-21)17-11-18-10-16(20-17)8-14-5-4-7-22(12-14)25(2,23)24/h9-11,13-14H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyRFTNMYJRACQYIC-AWEZNQCLSA-N
MW363.49 g/mol
LogP1.96
Rot. Bonds6

About 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine

2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine (PubChem CID 124998163) 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-(1-propylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
PubChem CID124998163
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1
InChIInChI=1S/C17H25N5O2S/c1-3-6-21-13-15(9-19-21)17-11-18-10-16(20-17)8-14-5-4-7-22(12-14)25(2,23)24/h9-11,13-14H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyRFTNMYJRACQYIC-AWEZNQCLSA-N
XLogP1.96
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1H-pyrazol-4-yl)pyrazine
CID 124945514
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
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-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
CID 110102339
N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110102274
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
CID 125020252
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102457
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102304
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine (CID 124998163) is 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine is CCCn1cc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1.
What is the InChIKey of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine?
The InChIKey is RFTNMYJRACQYIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-3-6-21-13-15(9-19-21)17-11-18-10-16(20-17)8-14-5-4-7-22(12-14)25(2,23)24/h9-11,13-14H,3-8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine?
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine has a molecular weight of 363.49 g/mol, XLogP of 1.96, 6 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-(1-propylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 124998163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).