(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

C20H21N3O4S — CID 41477056

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
SMILESCc1cccn2cc(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C20H21N3O4S/c1-15-6-5-9-22-13-17(21-19(15)22)14-27-20(24)16-7-4-8-18(12-16)28(25,26)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKeyARMDXOUOIKVZTJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.78
Rot. Bonds5

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 41477056) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID41477056
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
SMILESCc1cccn2cc(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C20H21N3O4S/c1-15-6-5-9-22-13-17(21-19(15)22)14-27-20(24)16-7-4-8-18(12-16)28(25,26)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKeyARMDXOUOIKVZTJ-UHFFFAOYSA-N
XLogP2.78
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate 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

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 16569298
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 24617089
(2-ethyl-1,3-thiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18165731
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 16570353
8-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 935997
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-yl)-3-nitrobenzoate
CID 16960694
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 55404353
1,3-benzoxazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 9398340
(3,4-dichlorophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 4593615
(4-bromophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2715348
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-piperidin-1-ylsulfonylbenzoate
CID 16521903
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16570626

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate (CID 41477056) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate is Cc1cccn2cc(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)nc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is ARMDXOUOIKVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-15-6-5-9-22-13-17(21-19(15)22)14-27-20(24)16-7-4-8-18(12-16)28(25,26)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 399.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 41477056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).