6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine

C21H18N2O2 — CID 122205726

IUPAC6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine
SMILESCOc1ccc(OC)c(-c2ccc3cnc(-c4ccccc4)cn23)c1
InChIInChI=1S/C21H18N2O2/c1-24-17-9-11-21(25-2)18(12-17)20-10-8-16-13-22-19(14-23(16)20)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyQJJLXVTYEIDOMJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.69
Rot. Bonds4

About 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine

6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine (PubChem CID 122205726) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine
PubChem CID122205726
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine
SMILESCOc1ccc(OC)c(-c2ccc3cnc(-c4ccccc4)cn23)c1
InChIInChI=1S/C21H18N2O2/c1-24-17-9-11-21(25-2)18(12-17)20-10-8-16-13-22-19(14-23(16)20)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyQJJLXVTYEIDOMJ-UHFFFAOYSA-N
XLogP4.69
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
CID 102237047
methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate
CID 162403402
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
6-methoxy-3-phenylisoquinoline
CID 68806176
5-bromo-4-methoxy-2-phenylpyridine
CID 139429745
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
CID 140905318
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594
2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371033
2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885
6-methoxy-3-(2-methylphenyl)imidazo[1,5-a]pyridine
CID 117138120
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine (CID 122205726) is 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine is COc1ccc(OC)c(-c2ccc3cnc(-c4ccccc4)cn23)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine?
The InChIKey is QJJLXVTYEIDOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-17-9-11-21(25-2)18(12-17)20-10-8-16-13-22-19(14-23(16)20)15-6-4-3-5-7-15/h3-14H,1-2H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine?
6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine has a molecular weight of 330.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 122205726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).