2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine

C17H24N4O2S — CID 124943820

IUPAC2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C17H24N4O2S/c1-3-11-21-17(9-10-18-21)16-8-4-7-15(19-16)14-6-5-12-20(13-14)24(2,22)23/h4,7-10,14H,3,5-6,11-13H2,1-2H3/t14-/m0/s1
InChIKeyBFJLKSNHHYLAGI-AWEZNQCLSA-N
MW348.47 g/mol
LogP2.49
Rot. Bonds5

About 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine

2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine (PubChem CID 124943820) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
PubChem CID124943820
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C17H24N4O2S/c1-3-11-21-17(9-10-18-21)16-8-4-7-15(19-16)14-6-5-12-20(13-14)24(2,22)23/h4,7-10,14H,3,5-6,11-13H2,1-2H3/t14-/m0/s1
InChIKeyBFJLKSNHHYLAGI-AWEZNQCLSA-N
XLogP2.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 125020548
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
CID 124997758

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine (CID 124943820) is 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is BFJLKSNHHYLAGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-11-21-17(9-10-18-21)16-8-4-7-15(19-16)14-6-5-12-20(13-14)24(2,22)23/h4,7-10,14H,3,5-6,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine?
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 348.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 124943820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).