6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine

C15H12F4N4O2 — CID 158029132

IUPAC6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine
SMILESCOc1nc2nc(C)[nH]c2nc1Cc1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C15H12F4N4O2/c1-7-20-12-13(21-7)23-14(24-2)11(22-12)5-8-3-4-9(6-10(8)16)25-15(17,18)19/h3-4,6H,5H2,1-2H3,(H,20,21,22,23)
InChIKeyFGYWFHZEESFSAW-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.30
Rot. Bonds4

About 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine

6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine (PubChem CID 158029132) has the molecular formula C15H12F4N4O2 and a molecular weight of 356.28 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine
PubChem CID158029132
Molecular FormulaC15H12F4N4O2
Molecular Weight356.28 g/mol
Exact Mass356.09
IUPAC Name6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine
SMILESCOc1nc2nc(C)[nH]c2nc1Cc1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C15H12F4N4O2/c1-7-20-12-13(21-7)23-14(24-2)11(22-12)5-8-3-4-9(6-10(8)16)25-15(17,18)19/h3-4,6H,5H2,1-2H3,(H,20,21,22,23)
InChIKeyFGYWFHZEESFSAW-UHFFFAOYSA-N
XLogP3.30
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloropropyl)-2-fluoro-4-(trifluoromethoxy)benzene
CID 118813230
5-methoxy-N-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-6-amine
CID 146200853
5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
CID 146198831
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
3-methoxy-5-(trifluoromethoxy)-1H-indazole
CID 174707060
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
CID 69228001
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine?
The IUPAC name of 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine (CID 158029132) is 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine is COc1nc2nc(C)[nH]c2nc1Cc1ccc(OC(F)(F)F)cc1F.
What is the InChIKey of 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine?
The InChIKey is FGYWFHZEESFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O2/c1-7-20-12-13(21-7)23-14(24-2)11(22-12)5-8-3-4-9(6-10(8)16)25-15(17,18)19/h3-4,6H,5H2,1-2H3,(H,20,21,22,23).
What are the key properties of 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine?
6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine has a molecular weight of 356.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxy-2-methyl-1H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 158029132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).