tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate

C18H19N3O3 — CID 167810976

IUPACtert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(-c2ccc3nccn3c2)nc1
InChIInChI=1S/C18H19N3O3/c1-18(2,3)24-17(22)12-23-14-5-6-15(20-10-14)13-4-7-16-19-8-9-21(16)11-13/h4-11H,12H2,1-3H3
InChIKeyZLJMELDMFZNKGM-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate

tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate (PubChem CID 167810976) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate
PubChem CID167810976
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nametert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(-c2ccc3nccn3c2)nc1
InChIInChI=1S/C18H19N3O3/c1-18(2,3)24-17(22)12-23-14-5-6-15(20-10-14)13-4-7-16-19-8-9-21(16)11-13/h4-11H,12H2,1-3H3
InChIKeyZLJMELDMFZNKGM-UHFFFAOYSA-N
XLogP3.12
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate?
The IUPAC name of tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate (CID 167810976) is tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate?
The canonical SMILES for tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate is CC(C)(C)OC(=O)COc1ccc(-c2ccc3nccn3c2)nc1.
What is the InChIKey of tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate?
The InChIKey is ZLJMELDMFZNKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-18(2,3)24-17(22)12-23-14-5-6-15(20-10-14)13-4-7-16-19-8-9-21(16)11-13/h4-11H,12H2,1-3H3.
What are the key properties of tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate?
tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate has a molecular weight of 325.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(6-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)oxy]acetate is sourced from PubChem (CID 167810976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).