3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride

C19H26ClF3N2O3 — CID 175372164

IUPAC3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
SMILESCCC(CC)N1CC(OC)=NC(c2ccc(OC(F)(F)F)cc2OC)=C1C.Cl
InChIInChI=1S/C19H25F3N2O3.ClH/c1-6-13(7-2)24-11-17(26-5)23-18(12(24)3)15-9-8-14(10-16(15)25-4)27-19(20,21)22;/h8-10,13H,6-7,11H2,1-5H3;1H
InChIKeyUFMBRNMIEZVIIO-UHFFFAOYSA-N
MW422.88 g/mol
LogP5.25
Rot. Bonds6

About 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride

3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride (PubChem CID 175372164) has the molecular formula C19H26ClF3N2O3 and a molecular weight of 422.88 g/mol. Its IUPAC name is 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
PubChem CID175372164
Molecular FormulaC19H26ClF3N2O3
Molecular Weight422.88 g/mol
Exact Mass422.16
IUPAC Name3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
SMILESCCC(CC)N1CC(OC)=NC(c2ccc(OC(F)(F)F)cc2OC)=C1C.Cl
InChIInChI=1S/C19H25F3N2O3.ClH/c1-6-13(7-2)24-11-17(26-5)23-18(12(24)3)15-9-8-14(10-16(15)25-4)27-19(20,21)22;/h8-10,13H,6-7,11H2,1-5H3;1H
InChIKeyUFMBRNMIEZVIIO-UHFFFAOYSA-N
XLogP5.25
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.88
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
CID 11625654
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
1-hydroxy-2-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-5-pentan-3-yloxypyridin-1-ium
CID 58866103
[(2S)-2-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butyl] methanesulfonate
CID 58703077
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
1-[2-methoxy-4-(trifluoromethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889486
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171284340

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride?
The IUPAC name of 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride (CID 175372164) is 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride.
What is the SMILES notation for 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride?
The canonical SMILES for 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride is CCC(CC)N1CC(OC)=NC(c2ccc(OC(F)(F)F)cc2OC)=C1C.Cl.
What is the InChIKey of 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride?
The InChIKey is UFMBRNMIEZVIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3.ClH/c1-6-13(7-2)24-11-17(26-5)23-18(12(24)3)15-9-8-14(10-16(15)25-4)27-19(20,21)22;/h8-10,13H,6-7,11H2,1-5H3;1H.
What are the key properties of 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride?
3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride has a molecular weight of 422.88 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride is sourced from PubChem (CID 175372164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).