(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C15H18N2O3 — CID 75412698

IUPAC(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)C(C)(C)C)cn12
InChIInChI=1S/C15H18N2O3/c1-10-6-5-7-13-16-11(8-17(10)13)14(19)20-9-12(18)15(2,3)4/h5-8H,9H2,1-4H3
InChIKeyYHKJRAOOQSELKP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds3

About (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate

(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 75412698) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID75412698
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)C(C)(C)C)cn12
InChIInChI=1S/C15H18N2O3/c1-10-6-5-7-13-16-11(8-17(10)13)14(19)20-9-12(18)15(2,3)4/h5-8H,9H2,1-4H3
InChIKeyYHKJRAOOQSELKP-UHFFFAOYSA-N
XLogP2.41
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 75412698) is (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OCC(=O)C(C)(C)C)cn12.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is YHKJRAOOQSELKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-5-7-13-16-11(8-17(10)13)14(19)20-9-12(18)15(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 75412698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).