dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate

C21H16N2O4 — CID 145097704

IUPACdimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate
SMILESCOC(=O)c1c(-c2cccc3ccccc23)cc2nccn2c1C(=O)OC
InChIInChI=1S/C21H16N2O4/c1-26-20(24)18-16(15-9-5-7-13-6-3-4-8-14(13)15)12-17-22-10-11-23(17)19(18)21(25)27-2/h3-12H,1-2H3
InChIKeyJKQLZZZITOBVIH-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.73
Rot. Bonds3

About dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate

dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate (PubChem CID 145097704) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate
PubChem CID145097704
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Namedimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate
SMILESCOC(=O)c1c(-c2cccc3ccccc23)cc2nccn2c1C(=O)OC
InChIInChI=1S/C21H16N2O4/c1-26-20(24)18-16(15-9-5-7-13-6-3-4-8-14(13)15)12-17-22-10-11-23(17)19(18)21(25)27-2/h3-12H,1-2H3
InChIKeyJKQLZZZITOBVIH-UHFFFAOYSA-N
XLogP3.73
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate?
The IUPAC name of dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate (CID 145097704) is dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate is COC(=O)c1c(-c2cccc3ccccc23)cc2nccn2c1C(=O)OC.
What is the InChIKey of dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate?
The InChIKey is JKQLZZZITOBVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-26-20(24)18-16(15-9-5-7-13-6-3-4-8-14(13)15)12-17-22-10-11-23(17)19(18)21(25)27-2/h3-12H,1-2H3.
What are the key properties of dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate?
dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-naphthalen-1-ylimidazo[1,2-a]pyridine-5,6-dicarboxylate is sourced from PubChem (CID 145097704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).