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

C22H20F2N4O3 — CID 73054239

IUPAC2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cccnc4OC)cc3n2)c1F
InChIInChI=1S/C22H20F2N4O3/c1-29-17-10-18(30-2)20(24)14(19(17)23)7-6-12-11-26-21-16(27-12)9-15(28-21)13-5-4-8-25-22(13)31-3/h4-5,8-11H,6-7H2,1-3H3,(H,26,28)
InChIKeyGRGUWRTYOWCPRK-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.11
Rot. Bonds7

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

2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73054239) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73054239
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cccnc4OC)cc3n2)c1F
InChIInChI=1S/C22H20F2N4O3/c1-29-17-10-18(30-2)20(24)14(19(17)23)7-6-12-11-26-21-16(27-12)9-15(28-21)13-5-4-8-25-22(13)31-3/h4-5,8-11H,6-7H2,1-3H3,(H,26,28)
InChIKeyGRGUWRTYOWCPRK-UHFFFAOYSA-N
XLogP4.11
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine (CID 73054239) is 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(OC)c(F)c(CCc2cnc3[nH]c(-c4cccnc4OC)cc3n2)c1F.
What is the InChIKey of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GRGUWRTYOWCPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-29-17-10-18(30-2)20(24)14(19(17)23)7-6-12-11-26-21-16(27-12)9-15(28-21)13-5-4-8-25-22(13)31-3/h4-5,8-11H,6-7H2,1-3H3,(H,26,28).
What are the key properties of 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 426.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-6-(2-methoxy-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73054239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).