6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine

C15H14N4O2S — CID 91214113

IUPAC6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc(-c2cnc3nc[nH]c3c2)cc1)N1CCC1
InChIInChI=1S/C15H14N4O2S/c20-22(21,19-6-1-7-19)13-4-2-11(3-5-13)12-8-14-15(16-9-12)18-10-17-14/h2-5,8-10H,1,6-7H2,(H,16,17,18)
InChIKeySNMGJIOHAMQBIB-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.02
Rot. Bonds3

About 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine

6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 91214113) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID91214113
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1ccc(-c2cnc3nc[nH]c3c2)cc1)N1CCC1
InChIInChI=1S/C15H14N4O2S/c20-22(21,19-6-1-7-19)13-4-2-11(3-5-13)12-8-14-15(16-9-12)18-10-17-14/h2-5,8-10H,1,6-7H2,(H,16,17,18)
InChIKeySNMGJIOHAMQBIB-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-piperidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 91598920
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 91110177
3-chloro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229074
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
3-hydroxy-5-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228964
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone
CID 110817576
4-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]sulfonylmorpholine
CID 11202425
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310

Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 91214113) is 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine is O=S(=O)(c1ccc(-c2cnc3nc[nH]c3c2)cc1)N1CCC1.
What is the InChIKey of 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is SNMGJIOHAMQBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-22(21,19-6-1-7-19)13-4-2-11(3-5-13)12-8-14-15(16-9-12)18-10-17-14/h2-5,8-10H,1,6-7H2,(H,16,17,18).
What are the key properties of 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine?
6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 314.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 91214113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).