4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine

C16H22N4O2S — CID 110096618

IUPAC4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCc1cn(-c2ccnc(C3CCCN(S(C)(=O)=O)C3)c2)c(C)n1
InChIInChI=1S/C16H22N4O2S/c1-12-10-20(13(2)18-12)15-6-7-17-16(9-15)14-5-4-8-19(11-14)23(3,21)22/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyPRCZJQNJPBITIP-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.02
Rot. Bonds3

About 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine

4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine (PubChem CID 110096618) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine
PubChem CID110096618
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCc1cn(-c2ccnc(C3CCCN(S(C)(=O)=O)C3)c2)c(C)n1
InChIInChI=1S/C16H22N4O2S/c1-12-10-20(13(2)18-12)15-6-7-17-16(9-15)14-5-4-8-19(11-14)23(3,21)22/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyPRCZJQNJPBITIP-UHFFFAOYSA-N
XLogP2.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110098897
(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125013369
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-methyl-4-(1-methylsulfonylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 110254116
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The IUPAC name of 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine (CID 110096618) is 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine.
What is the SMILES notation for 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The canonical SMILES for 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine is Cc1cn(-c2ccnc(C3CCCN(S(C)(=O)=O)C3)c2)c(C)n1.
What is the InChIKey of 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The InChIKey is PRCZJQNJPBITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-10-20(13(2)18-12)15-6-7-17-16(9-15)14-5-4-8-19(11-14)23(3,21)22/h6-7,9-10,14H,4-5,8,11H2,1-3H3.
What are the key properties of 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine has a molecular weight of 334.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine is sourced from PubChem (CID 110096618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).