2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine

C28H24N2O3 — CID 102281229

IUPAC2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine
SMILESCOc1ccc(-c2cc3nc(-c4cc(C)cc(C)c4)c(-c4ccc(OC)cc4)nc3o2)cc1
InChIInChI=1S/C28H24N2O3/c1-17-13-18(2)15-21(14-17)27-26(20-7-11-23(32-4)12-8-20)30-28-24(29-27)16-25(33-28)19-5-9-22(31-3)10-6-19/h5-16H,1-4H3
InChIKeyGHOJROIRLLLXTD-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.86
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine

2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine (PubChem CID 102281229) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine
PubChem CID102281229
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine
SMILESCOc1ccc(-c2cc3nc(-c4cc(C)cc(C)c4)c(-c4ccc(OC)cc4)nc3o2)cc1
InChIInChI=1S/C28H24N2O3/c1-17-13-18(2)15-21(14-17)27-26(20-7-11-23(32-4)12-8-20)30-28-24(29-27)16-25(33-28)19-5-9-22(31-3)10-6-19/h5-16H,1-4H3
InChIKeyGHOJROIRLLLXTD-UHFFFAOYSA-N
XLogP6.86
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine?
The IUPAC name of 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine (CID 102281229) is 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine is COc1ccc(-c2cc3nc(-c4cc(C)cc(C)c4)c(-c4ccc(OC)cc4)nc3o2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine?
The InChIKey is GHOJROIRLLLXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-17-13-18(2)15-21(14-17)27-26(20-7-11-23(32-4)12-8-20)30-28-24(29-27)16-25(33-28)19-5-9-22(31-3)10-6-19/h5-16H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine?
2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine has a molecular weight of 436.51 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3,6-bis(4-methoxyphenyl)furo[2,3-b]pyrazine is sourced from PubChem (CID 102281229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).