[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C14H16ClN3O3S — CID 168673717

IUPAC[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCc1cnc2ccccn12
InChIInChI=1S/C14H16ClN3O3S/c15-22(20,21)10-11-7-14(19)17(9-11)6-4-12-8-16-13-3-1-2-5-18(12)13/h1-3,5,8,11H,4,6-7,9-10H2
InChIKeyYISKNXIVPRDIKJ-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.29
Rot. Bonds5

About [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673717) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673717
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCc1cnc2ccccn12
InChIInChI=1S/C14H16ClN3O3S/c15-22(20,21)10-11-7-14(19)17(9-11)6-4-12-8-16-13-3-1-2-5-18(12)13/h1-3,5,8,11H,4,6-7,9-10H2
InChIKeyYISKNXIVPRDIKJ-UHFFFAOYSA-N
XLogP1.29
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673730
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657
[1-[4-(N-methylanilino)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672929
[5-oxo-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673804
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate
CID 71845380
[5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673651
[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673840

Frequently Asked Questions

What is the IUPAC name of [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673717) is [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CCc1cnc2ccccn12.
What is the InChIKey of [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is YISKNXIVPRDIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c15-22(20,21)10-11-7-14(19)17(9-11)6-4-12-8-16-13-3-1-2-5-18(12)13/h1-3,5,8,11H,4,6-7,9-10H2.
What are the key properties of [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 341.82 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).