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

C17H19N3O — CID 3641059

IUPAC7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12
InChIInChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)
InChIKeyWVMANZPBOBRWCB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.98
Rot. Bonds5

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

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 3641059) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID3641059
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12
InChIInChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)
InChIKeyWVMANZPBOBRWCB-UHFFFAOYSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 3641059) is 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is CCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12.
What is the InChIKey of 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is WVMANZPBOBRWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 281.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 3641059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).