2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine

C23H31F3N2O3 — CID 10138145

IUPAC2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
SMILESCCCC(CCC)Oc1nc(CC)c(-c2ccc(OC)cc2OC(F)(F)F)nc1CC
InChIInChI=1S/C23H31F3N2O3/c1-6-10-15(11-7-2)30-22-19(9-4)27-21(18(8-3)28-22)17-13-12-16(29-5)14-20(17)31-23(24,25)26/h12-15H,6-11H2,1-5H3
InChIKeyLSKYMESYHOSCHL-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.52
Rot. Bonds11

About 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine

2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine (PubChem CID 10138145) has the molecular formula C23H31F3N2O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine.

Molecular Properties

Compound Name2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
PubChem CID10138145
Molecular FormulaC23H31F3N2O3
Molecular Weight440.51 g/mol
Exact Mass440.23
IUPAC Name2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
SMILESCCCC(CCC)Oc1nc(CC)c(-c2ccc(OC)cc2OC(F)(F)F)nc1CC
InChIInChI=1S/C23H31F3N2O3/c1-6-10-15(11-7-2)30-22-19(9-4)27-21(18(8-3)28-22)17-13-12-16(29-5)14-20(17)31-23(24,25)26/h12-15H,6-11H2,1-5H3
InChIKeyLSKYMESYHOSCHL-UHFFFAOYSA-N
XLogP6.52
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-diethyl-5-hexan-3-yloxypyrazine
CID 22248903
2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine
CID 10361116
5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
CID 10390312
6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine
CID 21104809
2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
CID 22248949
6-[4-[difluoro(phosphanyl)methoxy]-2-methoxyphenyl]-3-hexan-3-yloxy-N,5-dimethylpyrazin-2-amine
CID 142866393
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol
CID 135593018
6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
CID 11625654
2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine
CID 22248963
5-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methyl-3-pentan-3-yloxypyrazin-2-amine
CID 10073115
3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine
CID 58804434

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine?
The IUPAC name of 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine (CID 10138145) is 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine.
What is the SMILES notation for 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine?
The canonical SMILES for 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine is CCCC(CCC)Oc1nc(CC)c(-c2ccc(OC)cc2OC(F)(F)F)nc1CC.
What is the InChIKey of 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine?
The InChIKey is LSKYMESYHOSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O3/c1-6-10-15(11-7-2)30-22-19(9-4)27-21(18(8-3)28-22)17-13-12-16(29-5)14-20(17)31-23(24,25)26/h12-15H,6-11H2,1-5H3.
What are the key properties of 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine?
2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine has a molecular weight of 440.51 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine is sourced from PubChem (CID 10138145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).