methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate

C14H11N3O3 — CID 136961324

IUPACmethyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2c(-c3ccc(O)cc3)cnc2cn1
InChIInChI=1S/C14H11N3O3/c1-20-14(19)11-8-17-12(6-16-13(17)7-15-11)9-2-4-10(18)5-3-9/h2-8,18H,1H3
InChIKeyQBKXJBSPURSVRN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds2

About methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate

methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 136961324) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID136961324
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namemethyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2c(-c3ccc(O)cc3)cnc2cn1
InChIInChI=1S/C14H11N3O3/c1-20-14(19)11-8-17-12(6-16-13(17)7-15-11)9-2-4-10(18)5-3-9/h2-8,18H,1H3
InChIKeyQBKXJBSPURSVRN-UHFFFAOYSA-N
XLogP1.89
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate (CID 136961324) is methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cn2c(-c3ccc(O)cc3)cnc2cn1.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is QBKXJBSPURSVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-14(19)11-8-17-12(6-16-13(17)7-15-11)9-2-4-10(18)5-3-9/h2-8,18H,1H3.
What are the key properties of methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate?
methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 136961324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).