6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine

C20H13F3N2O — CID 135009622

IUPAC6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine
SMILESCc1ccc(-c2cc3nc(-c4cccc(C(F)(F)F)c4)cnc3o2)cc1
InChIInChI=1S/C20H13F3N2O/c1-12-5-7-13(8-6-12)18-10-16-19(26-18)24-11-17(25-16)14-3-2-4-15(9-14)20(21,22)23/h2-11H,1H3
InChIKeyHUHFMPCJLZAJMH-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.88
Rot. Bonds2

About 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine

6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine (PubChem CID 135009622) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine
PubChem CID135009622
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine
SMILESCc1ccc(-c2cc3nc(-c4cccc(C(F)(F)F)c4)cnc3o2)cc1
InChIInChI=1S/C20H13F3N2O/c1-12-5-7-13(8-6-12)18-10-16-19(26-18)24-11-17(25-16)14-3-2-4-15(9-14)20(21,22)23/h2-11H,1H3
InChIKeyHUHFMPCJLZAJMH-UHFFFAOYSA-N
XLogP5.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
example 184 [WO2014186035]
CID 86280679
6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70688066
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
6-(3-Benzooxazol-2-yl-phenyl)-pyrrolo[3,4-b]pyridine-5,7-dione
CID 649463
(4-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 73603977
Oxazolo(5,4-b)pyridine, 2-(2-fluorophenyl)-
CID 3040488
2-(2-fluorobenzyl)-N-methyl-N-[1-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790318
2-(2-fluorobenzyl)-N-methyl-N-(3-pyridinylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24791770
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 71462281
(2-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221951

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine?
The IUPAC name of 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine (CID 135009622) is 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine is Cc1ccc(-c2cc3nc(-c4cccc(C(F)(F)F)c4)cnc3o2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine?
The InChIKey is HUHFMPCJLZAJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c1-12-5-7-13(8-6-12)18-10-16-19(26-18)24-11-17(25-16)14-3-2-4-15(9-14)20(21,22)23/h2-11H,1H3.
What are the key properties of 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine?
6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine has a molecular weight of 354.33 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine is sourced from PubChem (CID 135009622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).