methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate

C16H14N2O3 — CID 162403402

IUPACmethyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C16H14N2O3/c1-20-13-6-3-11(4-7-13)14-10-18-12(9-17-14)5-8-15(18)16(19)21-2/h3-10H,1-2H3
InChIKeyBDLTUMWKNXZPHZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.80
Rot. Bonds3

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

methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate (PubChem CID 162403402) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate
PubChem CID162403402
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C16H14N2O3/c1-20-13-6-3-11(4-7-13)14-10-18-12(9-17-14)5-8-15(18)16(19)21-2/h3-10H,1-2H3
InChIKeyBDLTUMWKNXZPHZ-UHFFFAOYSA-N
XLogP2.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-methoxyphenyl)pyrazine-2-carboxylate
CID 91754327
methyl 6-methoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 76849605
methyl 7-methoxy-2-phenylimidazo[1,2-a]pyridine-5-carboxylate
CID 42609556
6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 136664249
6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine
CID 122205726
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-5-carboxylate
CID 117133201
methyl 2-phenylimidazo[1,2-a]pyridine-5-carboxylate
CID 117133039
5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid
CID 139620580
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
CID 102205487
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate (CID 162403402) is methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1ccc2cnc(-c3ccc(OC)cc3)cn12.
What is the InChIKey of methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is BDLTUMWKNXZPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-6-3-11(4-7-13)14-10-18-12(9-17-14)5-8-15(18)16(19)21-2/h3-10H,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate?
methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 162403402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).