3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde

C15H13N3O2 — CID 144630428

IUPAC3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde
SMILESCOc1ccc(-c2cnc3cnc(C=O)cn23)c(C)c1
InChIInChI=1S/C15H13N3O2/c1-10-5-12(20-2)3-4-13(10)14-6-17-15-7-16-11(9-19)8-18(14)15/h3-9H,1-2H3
InChIKeyGCMIBLKHDGNXOW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.53
Rot. Bonds3

About 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde

3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde (PubChem CID 144630428) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde
PubChem CID144630428
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde
SMILESCOc1ccc(-c2cnc3cnc(C=O)cn23)c(C)c1
InChIInChI=1S/C15H13N3O2/c1-10-5-12(20-2)3-4-13(10)14-6-17-15-7-16-11(9-19)8-18(14)15/h3-9H,1-2H3
InChIKeyGCMIBLKHDGNXOW-UHFFFAOYSA-N
XLogP2.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-(methylamino)phenyl]imidazo[1,2-a]pyrazine-6-carbaldehyde
CID 144630474
8-methoxy-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115043627
6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 118448854
3-(3,5-dimethoxyphenyl)-6-(2-methylphenyl)imidazo[1,2-a]pyrazine
CID 155542102
2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
CID 172649146
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
3-(2-fluoro-5-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 157018346
5-(4-methoxy-2-methylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 118448817
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
3-(2,4-dimethoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridine
CID 114933739
3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 158562062
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde (CID 144630428) is 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde is COc1ccc(-c2cnc3cnc(C=O)cn23)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde?
The InChIKey is GCMIBLKHDGNXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-5-12(20-2)3-4-13(10)14-6-17-15-7-16-11(9-19)8-18(14)15/h3-9H,1-2H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde?
3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde has a molecular weight of 267.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazine-6-carbaldehyde is sourced from PubChem (CID 144630428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).