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

C22H19F2N3O2 — CID 73055078

IUPAC6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4c(F)cccc4F)cc3n2)cc(OC)c1
InChIInChI=1S/C22H19F2N3O2/c1-28-15-8-13(9-16(10-15)29-2)6-7-14-12-25-22-20(26-14)11-19(27-22)21-17(23)4-3-5-18(21)24/h3-5,8-12H,6-7H2,1-2H3,(H,25,27)
InChIKeyVHYJLDUAKVVELA-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.71
Rot. Bonds6

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

6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73055078) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73055078
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4c(F)cccc4F)cc3n2)cc(OC)c1
InChIInChI=1S/C22H19F2N3O2/c1-28-15-8-13(9-16(10-15)29-2)6-7-14-12-25-22-20(26-14)11-19(27-22)21-17(23)4-3-5-18(21)24/h3-5,8-12H,6-7H2,1-2H3,(H,25,27)
InChIKeyVHYJLDUAKVVELA-UHFFFAOYSA-N
XLogP4.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine (CID 73055078) is 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4c(F)cccc4F)cc3n2)cc(OC)c1.
What is the InChIKey of 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is VHYJLDUAKVVELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-28-15-8-13(9-16(10-15)29-2)6-7-14-12-25-22-20(26-14)11-19(27-22)21-17(23)4-3-5-18(21)24/h3-5,8-12H,6-7H2,1-2H3,(H,25,27).
What are the key properties of 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine?
6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 395.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73055078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).