methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

C17H17N3O5 — CID 154620318

IUPACmethyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)CNc1c(-c2ccco2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C17H17N3O5/c1-3-24-14(21)9-18-16-15(12-5-4-8-25-12)19-13-7-6-11(10-20(13)16)17(22)23-2/h4-8,10,18H,3,9H2,1-2H3
InChIKeyHFZOCGYNGNCMJO-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.36
Rot. Bonds6

About methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 154620318) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID154620318
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Namemethyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)CNc1c(-c2ccco2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C17H17N3O5/c1-3-24-14(21)9-18-16-15(12-5-4-8-25-12)19-13-7-6-11(10-20(13)16)17(22)23-2/h4-8,10,18H,3,9H2,1-2H3
InChIKeyHFZOCGYNGNCMJO-UHFFFAOYSA-N
XLogP2.36
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 154620318) is methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)CNc1c(-c2ccco2)nc2ccc(C(=O)OC)cn12.
What is the InChIKey of methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is HFZOCGYNGNCMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-3-24-14(21)9-18-16-15(12-5-4-8-25-12)19-13-7-6-11(10-20(13)16)17(22)23-2/h4-8,10,18H,3,9H2,1-2H3.
What are the key properties of methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 154620318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).