6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C14H13N3O2 — CID 6538772

IUPAC6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)cc(-c2cc3nccnc3[nH]2)c1
InChIInChI=1S/C14H13N3O2/c1-18-10-5-9(6-11(7-10)19-2)12-8-13-14(17-12)16-4-3-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyYOIQNVSHTXFKAL-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.64
Rot. Bonds3

About 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538772) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538772
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)cc(-c2cc3nccnc3[nH]2)c1
InChIInChI=1S/C14H13N3O2/c1-18-10-5-9(6-11(7-10)19-2)12-8-13-14(17-12)16-4-3-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyYOIQNVSHTXFKAL-UHFFFAOYSA-N
XLogP2.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538772) is 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(OC)cc(-c2cc3nccnc3[nH]2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is YOIQNVSHTXFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-10-5-9(6-11(7-10)19-2)12-8-13-14(17-12)16-4-3-15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 255.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).