6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine

C14H13N3O — CID 6538782

IUPAC6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2[nH]c3nccnc3c2C)cc1
InChIInChI=1S/C14H13N3O/c1-9-12(10-3-5-11(18-2)6-4-10)17-14-13(9)15-7-8-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyZUHJPCPWABPZDY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.94
Rot. Bonds2

About 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine

6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538782) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538782
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2[nH]c3nccnc3c2C)cc1
InChIInChI=1S/C14H13N3O/c1-9-12(10-3-5-11(18-2)6-4-10)17-14-13(9)15-7-8-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyZUHJPCPWABPZDY-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine (CID 6538782) is 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine is COc1ccc(-c2[nH]c3nccnc3c2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is ZUHJPCPWABPZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-12(10-3-5-11(18-2)6-4-10)17-14-13(9)15-7-8-16-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 239.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).