[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C18H16N2O3 — CID 7246945

IUPAC[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)17(21)13(2)23-18(22)15-11-20-10-4-3-5-16(20)19-15/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyPGFDTHRHYDGRBI-CYBMUJFWSA-N
MW308.34 g/mol
LogP3.07
Rot. Bonds4

About [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246945) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246945
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)17(21)13(2)23-18(22)15-11-20-10-4-3-5-16(20)19-15/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyPGFDTHRHYDGRBI-CYBMUJFWSA-N
XLogP3.07
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7246945) is [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1.
What is the InChIKey of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is PGFDTHRHYDGRBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)17(21)13(2)23-18(22)15-11-20-10-4-3-5-16(20)19-15/h3-11,13H,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).