methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate

C13H15N3O3 — CID 102626858

IUPACmethyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1cccc2nccn12
InChIInChI=1S/C13H15N3O3/c1-18-13(17)10-9-19-8-7-15(10)12-4-2-3-11-14-5-6-16(11)12/h2-6,10H,7-9H2,1H3
InChIKeyUJNBEFJPHHAHGM-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds2

About methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate

methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate (PubChem CID 102626858) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate
PubChem CID102626858
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1cccc2nccn12
InChIInChI=1S/C13H15N3O3/c1-18-13(17)10-9-19-8-7-15(10)12-4-2-3-11-14-5-6-16(11)12/h2-6,10H,7-9H2,1H3
InChIKeyUJNBEFJPHHAHGM-UHFFFAOYSA-N
XLogP0.71
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate?
The IUPAC name of methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate (CID 102626858) is methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate?
The canonical SMILES for methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate is COC(=O)C1COCCN1c1cccc2nccn12.
What is the InChIKey of methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate?
The InChIKey is UJNBEFJPHHAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-13(17)10-9-19-8-7-15(10)12-4-2-3-11-14-5-6-16(11)12/h2-6,10H,7-9H2,1H3.
What are the key properties of methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate?
methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate is sourced from PubChem (CID 102626858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).