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

C17H17ClN4O2S — CID 95110331

IUPAC2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c([C@@H]2CCN(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/t12-/m1/s1
InChIKeyZQEXCDCBQIIUNZ-GFCCVEGCSA-N
MW376.87 g/mol
LogP2.80
Rot. Bonds3

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

2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 95110331) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
PubChem CID95110331
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c([C@@H]2CCN(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/t12-/m1/s1
InChIKeyZQEXCDCBQIIUNZ-GFCCVEGCSA-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

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191312
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 110234267
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191327
4-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 97416558
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
4-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 95110352

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (CID 95110331) is 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is Cn1c([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21.
What is the InChIKey of 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is ZQEXCDCBQIIUNZ-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
2-[(3R)-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-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 95110331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).