6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine

C20H23F3N4O2 — CID 11625654

IUPAC6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
SMILESCCc1nc2c(ncn2C(CC)CC)nc1-c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C20H23F3N4O2/c1-5-12(6-2)27-11-24-18-19(27)25-15(7-3)17(26-18)14-9-8-13(10-16(14)28-4)29-20(21,22)23/h8-12H,5-7H2,1-4H3
InChIKeyXSOHROODUMYLRT-UHFFFAOYSA-N
MW408.42 g/mol
LogP5.32
Rot. Bonds7

About 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine

6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine (PubChem CID 11625654) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
PubChem CID11625654
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
SMILESCCc1nc2c(ncn2C(CC)CC)nc1-c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C20H23F3N4O2/c1-5-12(6-2)27-11-24-18-19(27)25-15(7-3)17(26-18)14-9-8-13(10-16(14)28-4)29-20(21,22)23/h8-12H,5-7H2,1-4H3
InChIKeyXSOHROODUMYLRT-UHFFFAOYSA-N
XLogP5.32
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
[(2S)-2-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butyl] methanesulfonate
CID 58703077
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
CID 175372164
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
CID 10138145
6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine
CID 91115081
2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
CID 22248949
5-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methyl-3-pentan-3-yloxypyrazin-2-amine
CID 10073115
3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
CID 157247657

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine?
The IUPAC name of 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine (CID 11625654) is 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine.
What is the SMILES notation for 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine?
The canonical SMILES for 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine is CCc1nc2c(ncn2C(CC)CC)nc1-c1ccc(OC(F)(F)F)cc1OC.
What is the InChIKey of 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine?
The InChIKey is XSOHROODUMYLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-5-12(6-2)27-11-24-18-19(27)25-15(7-3)17(26-18)14-9-8-13(10-16(14)28-4)29-20(21,22)23/h8-12H,5-7H2,1-4H3.
What are the key properties of 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine?
6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine has a molecular weight of 408.42 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine is sourced from PubChem (CID 11625654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).