2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine

C17H17ClN4O2S — CID 53191279

IUPAC2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21
InChIInChI=1S/C17H17ClN4O2S/c1-21-16(20-15-3-2-9-19-17(15)21)12-8-10-22(11-12)25(23,24)14-6-4-13(18)5-7-14/h2-7,9,12H,8,10-11H2,1H3
InChIKeyZQEXCDCBQIIUNZ-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine

2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 53191279) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
PubChem CID53191279
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21
InChIInChI=1S/C17H17ClN4O2S/c1-21-16(20-15-3-2-9-19-17(15)21)12-8-10-22(11-12)25(23,24)14-6-4-13(18)5-7-14/h2-7,9,12H,8,10-11H2,1H3
InChIKeyZQEXCDCBQIIUNZ-UHFFFAOYSA-N
XLogP2.80
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (CID 53191279) is 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is Cn1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is ZQEXCDCBQIIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-21-16(20-15-3-2-9-19-17(15)21)12-8-10-22(11-12)25(23,24)14-6-4-13(18)5-7-14/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 376.87 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53191279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).