ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate

C15H17N3O3 — CID 90569843

IUPACethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C15H17N3O3/c1-2-21-15(20)14(19)18(11-6-7-11)10-12-9-16-13-5-3-4-8-17(12)13/h3-5,8-9,11H,2,6-7,10H2,1H3
InChIKeyFDRJKIANGPLXAB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.39
Rot. Bonds4

About ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate

ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate (PubChem CID 90569843) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate
PubChem CID90569843
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(Cc1cnc2ccccn12)C1CC1
InChIInChI=1S/C15H17N3O3/c1-2-21-15(20)14(19)18(11-6-7-11)10-12-9-16-13-5-3-4-8-17(12)13/h3-5,8-9,11H,2,6-7,10H2,1H3
InChIKeyFDRJKIANGPLXAB-UHFFFAOYSA-N
XLogP1.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate (CID 90569843) is ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(Cc1cnc2ccccn12)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate?
The InChIKey is FDRJKIANGPLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-15(20)14(19)18(11-6-7-11)10-12-9-16-13-5-3-4-8-17(12)13/h3-5,8-9,11H,2,6-7,10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate?
ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate has a molecular weight of 287.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate is sourced from PubChem (CID 90569843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).