imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate

C17H16N2O4S — CID 7625039

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
SMILESCS(=O)(=O)Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H16N2O4S/c1-24(21,22)12-13-5-7-14(8-6-13)17(20)23-11-15-10-19-9-3-2-4-16(19)18-15/h2-10H,11-12H2,1H3
InChIKeyNFDQREVZZXHJBY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.24
Rot. Bonds5

About imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate

imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate (PubChem CID 7625039) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
PubChem CID7625039
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
SMILESCS(=O)(=O)Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H16N2O4S/c1-24(21,22)12-13-5-7-14(8-6-13)17(20)23-11-15-10-19-9-3-2-4-16(19)18-15/h2-10H,11-12H2,1H3
InChIKeyNFDQREVZZXHJBY-UHFFFAOYSA-N
XLogP2.24
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 7761611
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
CID 90480627
2-O-ethyl 4-O-(imidazo[1,2-a]pyridin-2-ylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7173028
imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 55372410
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
CID 78815706

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate (CID 7625039) is imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate is CS(=O)(=O)Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate?
The InChIKey is NFDQREVZZXHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-24(21,22)12-13-5-7-14(8-6-13)17(20)23-11-15-10-19-9-3-2-4-16(19)18-15/h2-10H,11-12H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate has a molecular weight of 344.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate is sourced from PubChem (CID 7625039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).