methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate

C17H13BrFN3O2 — CID 146596392

IUPACmethyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2cc(-c3ccc(Br)cc3F)nc2c(C2CC2)n1
InChIInChI=1S/C17H13BrFN3O2/c1-24-17(23)14-8-22-7-13(11-5-4-10(18)6-12(11)19)21-16(22)15(20-14)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyWZNJGWBWRVFXDL-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.96
Rot. Bonds3

About methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate

methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 146596392) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID146596392
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Namemethyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2cc(-c3ccc(Br)cc3F)nc2c(C2CC2)n1
InChIInChI=1S/C17H13BrFN3O2/c1-24-17(23)14-8-22-7-13(11-5-4-10(18)6-12(11)19)21-16(22)15(20-14)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyWZNJGWBWRVFXDL-UHFFFAOYSA-N
XLogP3.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate (CID 146596392) is methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cn2cc(-c3ccc(Br)cc3F)nc2c(C2CC2)n1.
What is the InChIKey of methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is WZNJGWBWRVFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c1-24-17(23)14-8-22-7-13(11-5-4-10(18)6-12(11)19)21-16(22)15(20-14)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate?
methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 390.21 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-fluorophenyl)-8-cyclopropylimidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 146596392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).