6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

C17H18N4O2S — CID 91598920

IUPAC6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc(-c2cnc3nc[nH]c3c2)cc1)N1CCCCC1
InChIInChI=1S/C17H18N4O2S/c22-24(23,21-8-2-1-3-9-21)15-6-4-13(5-7-15)14-10-16-17(18-11-14)20-12-19-16/h4-7,10-12H,1-3,8-9H2,(H,18,19,20)
InChIKeyAJQUZQBIPXFUNF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.80
Rot. Bonds3

About 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 91598920) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID91598920
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc(-c2cnc3nc[nH]c3c2)cc1)N1CCCCC1
InChIInChI=1S/C17H18N4O2S/c22-24(23,21-8-2-1-3-9-21)15-6-4-13(5-7-15)14-10-16-17(18-11-14)20-12-19-16/h4-7,10-12H,1-3,8-9H2,(H,18,19,20)
InChIKeyAJQUZQBIPXFUNF-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 91214113
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 12784298
3-chloro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229074
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
CID 53221589
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
3-fluoro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229065
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012

Frequently Asked Questions

What is the IUPAC name of 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 91598920) is 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is O=S(=O)(c1ccc(-c2cnc3nc[nH]c3c2)cc1)N1CCCCC1.
What is the InChIKey of 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AJQUZQBIPXFUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,21-8-2-1-3-9-21)15-6-4-13(5-7-15)14-10-16-17(18-11-14)20-12-19-16/h4-7,10-12H,1-3,8-9H2,(H,18,19,20).
What are the key properties of 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 342.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 91598920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).