tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate

C22H25N3O4 — CID 52842387

IUPACtert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-20(26)14-24(4)21(27)16-8-7-9-18(12-16)28-15-17-13-25-11-6-5-10-19(25)23-17/h5-13H,14-15H2,1-4H3
InChIKeyCBAPIKLOKJERLM-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate

tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate (PubChem CID 52842387) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
PubChem CID52842387
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nametert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-20(26)14-24(4)21(27)16-8-7-9-18(12-16)28-15-17-13-25-11-6-5-10-19(25)23-17/h5-13H,14-15H2,1-4H3
InChIKeyCBAPIKLOKJERLM-UHFFFAOYSA-N
XLogP3.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate with MolForge

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 134037122
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 134009668
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 52552738
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
CID 55848603
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate?
The IUPAC name of tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate (CID 52842387) is tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate is CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate?
The InChIKey is CBAPIKLOKJERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(2,3)29-20(26)14-24(4)21(27)16-8-7-9-18(12-16)28-15-17-13-25-11-6-5-10-19(25)23-17/h5-13H,14-15H2,1-4H3.
What are the key properties of tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate?
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate has a molecular weight of 395.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate is sourced from PubChem (CID 52842387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).