2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C15H12F6N4O2 — CID 150749070

IUPAC2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(F)(F)F)n1
InChIInChI=1S/C15H12F6N4O2/c1-6-2-3-7(13(27,12(23)26)15(19,20)21)4-8(6)9-5-24-11(22)10(25-9)14(16,17)18/h2-5,27H,1H3,(H2,22,24)(H2,23,26)
InChIKeyJVLWRUDKSWJRKT-UHFFFAOYSA-N
MW394.28 g/mol
LogP2.29
Rot. Bonds3

About 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150749070) has the molecular formula C15H12F6N4O2 and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150749070
Molecular FormulaC15H12F6N4O2
Molecular Weight394.28 g/mol
Exact Mass394.09
IUPAC Name2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(F)(F)F)n1
InChIInChI=1S/C15H12F6N4O2/c1-6-2-3-7(13(27,12(23)26)15(19,20)21)4-8(6)9-5-24-11(22)10(25-9)14(16,17)18/h2-5,27H,1H3,(H2,22,24)(H2,23,26)
InChIKeyJVLWRUDKSWJRKT-UHFFFAOYSA-N
XLogP2.29
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

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Related Compounds

4'-(5-Aminopyrazin-2-yl)-3'-fluoro-4-(trifluoromethyl)biphenyl-2-carboxylic acid
CID 90313214
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 128
CID 138561669
US10738057, Example 120
CID 138562071
US10738057, Example 129
CID 138562319
US10738057, Example 255
CID 138619343
US11046658, Example 110
CID 148017736
US11046658, Example 98
CID 148590503
US11046658, Example 7
CID 149380624
US11046658, Example 69
CID 149547652

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150749070) is 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(F)(F)F)n1.
What is the InChIKey of 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is JVLWRUDKSWJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N4O2/c1-6-2-3-7(13(27,12(23)26)15(19,20)21)4-8(6)9-5-24-11(22)10(25-9)14(16,17)18/h2-5,27H,1H3,(H2,22,24)(H2,23,26).
What are the key properties of 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 394.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(trifluoromethyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150749070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).