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

C18H19ClN4O2S — CID 53191297

IUPAC2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21
InChIInChI=1S/C18H19ClN4O2S/c1-2-23-17(21-16-4-3-10-20-18(16)23)13-9-11-22(12-13)26(24,25)15-7-5-14(19)6-8-15/h3-8,10,13H,2,9,11-12H2,1H3
InChIKeyUPIKQJMUELGDNM-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.28
Rot. Bonds4

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

2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine (PubChem CID 53191297) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine
PubChem CID53191297
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21
InChIInChI=1S/C18H19ClN4O2S/c1-2-23-17(21-16-4-3-10-20-18(16)23)13-9-11-22(12-13)26(24,25)15-7-5-14(19)6-8-15/h3-8,10,13H,2,9,11-12H2,1H3
InChIKeyUPIKQJMUELGDNM-UHFFFAOYSA-N
XLogP3.28
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[1,2-a]pyridine derivative, 2b
CID 25023754
Imidazo[1,2-a]pyridine derivative, 8
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4-[4-Chloro-5-(6-chloro-pyridin-3-yl)-imidazol-1-yl]-benzenesulfonamide
CID 10981473
4-Chloro-N-[(1R)-1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
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4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
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CID 59177101
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine (CID 53191297) is 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine is CCn1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2cccnc21.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine?
The InChIKey is UPIKQJMUELGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-2-23-17(21-16-4-3-10-20-18(16)23)13-9-11-22(12-13)26(24,25)15-7-5-14(19)6-8-15/h3-8,10,13H,2,9,11-12H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine?
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-ethylimidazo[4,5-b]pyridine has a molecular weight of 390.90 g/mol, XLogP of 3.28, 4 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-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53191297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).