methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

C16H14N2O4S — CID 1482203

IUPACmethyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)cn2c1
InChIInChI=1S/C16H14N2O4S/c1-22-16(19)12-5-8-15-17-14(10-18(15)9-12)11-3-6-13(7-4-11)23(2,20)21/h3-10H,1-2H3
InChIKeyHRYONIHVKTWMKB-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 1482203) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID1482203
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Namemethyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)cn2c1
InChIInChI=1S/C16H14N2O4S/c1-22-16(19)12-5-8-15-17-14(10-18(15)9-12)11-3-6-13(7-4-11)23(2,20)21/h3-10H,1-2H3
InChIKeyHRYONIHVKTWMKB-UHFFFAOYSA-N
XLogP2.19
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 1482203) is methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)cn2c1.
What is the InChIKey of methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is HRYONIHVKTWMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-22-16(19)12-5-8-15-17-14(10-18(15)9-12)11-3-6-13(7-4-11)23(2,20)21/h3-10H,1-2H3.
What are the key properties of methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 1482203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).