2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine

C15H20N4O2S — CID 110257313

IUPAC2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
SMILESCS(=O)(=O)N1CCCC(Cc2ccnc(-n3ccnc3)c2)C1
InChIInChI=1S/C15H20N4O2S/c1-22(20,21)19-7-2-3-14(11-19)9-13-4-5-17-15(10-13)18-8-6-16-12-18/h4-6,8,10,12,14H,2-3,7,9,11H2,1H3
InChIKeyNQOGQMKHXVRYHE-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.48
Rot. Bonds4

About 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine

2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine (PubChem CID 110257313) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
PubChem CID110257313
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
SMILESCS(=O)(=O)N1CCCC(Cc2ccnc(-n3ccnc3)c2)C1
InChIInChI=1S/C15H20N4O2S/c1-22(20,21)19-7-2-3-14(11-19)9-13-4-5-17-15(10-13)18-8-6-16-12-18/h4-6,8,10,12,14H,2-3,7,9,11H2,1H3
InChIKeyNQOGQMKHXVRYHE-UHFFFAOYSA-N
XLogP1.48
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95820903
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
3-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110112138
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
CID 95825017
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
The IUPAC name of 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine (CID 110257313) is 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine.
What is the SMILES notation for 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
The canonical SMILES for 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine is CS(=O)(=O)N1CCCC(Cc2ccnc(-n3ccnc3)c2)C1.
What is the InChIKey of 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
The InChIKey is NQOGQMKHXVRYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-22(20,21)19-7-2-3-14(11-19)9-13-4-5-17-15(10-13)18-8-6-16-12-18/h4-6,8,10,12,14H,2-3,7,9,11H2,1H3.
What are the key properties of 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine has a molecular weight of 320.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine is sourced from PubChem (CID 110257313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).