ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate

C20H20F2N2O3 — CID 71108577

IUPACethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3c(F)cc(CC)cc3F)cccn12
InChIInChI=1S/C20H20F2N2O3/c1-4-13-9-15(21)14(16(22)10-13)11-27-17-7-6-8-24-18(20(25)26-5-2)12(3)23-19(17)24/h6-10H,4-5,11H2,1-3H3
InChIKeyAMFIWMHXLGDOQC-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.24
Rot. Bonds6

About ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 71108577) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID71108577
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Nameethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3c(F)cc(CC)cc3F)cccn12
InChIInChI=1S/C20H20F2N2O3/c1-4-13-9-15(21)14(16(22)10-13)11-27-17-7-6-8-24-18(20(25)26-5-2)12(3)23-19(17)24/h6-10H,4-5,11H2,1-3H3
InChIKeyAMFIWMHXLGDOQC-UHFFFAOYSA-N
XLogP4.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 71108577) is ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(OCc3c(F)cc(CC)cc3F)cccn12.
What is the InChIKey of ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is AMFIWMHXLGDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-4-13-9-15(21)14(16(22)10-13)11-27-17-7-6-8-24-18(20(25)26-5-2)12(3)23-19(17)24/h6-10H,4-5,11H2,1-3H3.
What are the key properties of ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(4-ethyl-2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 71108577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).