methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate

C17H15F2N3O3 — CID 134194106

IUPACmethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12
InChIInChI=1S/C17H15F2N3O3/c1-9-7-22-14(17(23)24-3)10(2)21-15(22)16(20-9)25-8-11-12(18)5-4-6-13(11)19/h4-7H,8H2,1-3H3
InChIKeyRLIIVYUICRZIPA-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.99
Rot. Bonds4

About methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate

methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate (PubChem CID 134194106) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
PubChem CID134194106
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Namemethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12
InChIInChI=1S/C17H15F2N3O3/c1-9-7-22-14(17(23)24-3)10(2)21-15(22)16(20-9)25-8-11-12(18)5-4-6-13(11)19/h4-7H,8H2,1-3H3
InChIKeyRLIIVYUICRZIPA-UHFFFAOYSA-N
XLogP2.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate (CID 134194106) is methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate is COC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12.
What is the InChIKey of methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is RLIIVYUICRZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-9-7-22-14(17(23)24-3)10(2)21-15(22)16(20-9)25-8-11-12(18)5-4-6-13(11)19/h4-7H,8H2,1-3H3.
What are the key properties of methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate?
methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 347.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 134194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).