ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C22H20N6O2 — CID 21007785

IUPACethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(CCc2cnc3ccccn23)c2nc3ccccc3nc12
InChIInChI=1S/C22H20N6O2/c1-2-30-22(29)18-19-21(26-16-8-4-3-7-15(16)25-19)28(20(18)23)12-10-14-13-24-17-9-5-6-11-27(14)17/h3-9,11,13H,2,10,12,23H2,1H3
InChIKeyGGLLXIBBIHIQNJ-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 21007785) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID21007785
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Nameethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(CCc2cnc3ccccn23)c2nc3ccccc3nc12
InChIInChI=1S/C22H20N6O2/c1-2-30-22(29)18-19-21(26-16-8-4-3-7-15(16)25-19)28(20(18)23)12-10-14-13-24-17-9-5-6-11-27(14)17/h3-9,11,13H,2,10,12,23H2,1H3
InChIKeyGGLLXIBBIHIQNJ-UHFFFAOYSA-N
XLogP3.23
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 21007785) is ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(CCc2cnc3ccccn23)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is GGLLXIBBIHIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-2-30-22(29)18-19-21(26-16-8-4-3-7-15(16)25-19)28(20(18)23)12-10-14-13-24-17-9-5-6-11-27(14)17/h3-9,11,13H,2,10,12,23H2,1H3.
What are the key properties of ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 21007785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).