3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine

C24H24BrFN2O2 — CID 118649635

IUPAC3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine
SMILESCCC(c1cccc(OCc2cnc(-c3cc(OC)ccc3F)c(Br)n2)c1)C1CC1
InChIInChI=1S/C24H24BrFN2O2/c1-3-20(15-7-8-15)16-5-4-6-19(11-16)30-14-17-13-27-23(24(25)28-17)21-12-18(29-2)9-10-22(21)26/h4-6,9-13,15,20H,3,7-8,14H2,1-2H3
InChIKeyOVGORSFJPSPYGI-UHFFFAOYSA-N
MW471.37 g/mol
LogP6.54
Rot. Bonds8

About 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine

3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine (PubChem CID 118649635) has the molecular formula C24H24BrFN2O2 and a molecular weight of 471.37 g/mol. Its IUPAC name is 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine.

Molecular Properties

Compound Name3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine
PubChem CID118649635
Molecular FormulaC24H24BrFN2O2
Molecular Weight471.37 g/mol
Exact Mass470.10
IUPAC Name3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine
SMILESCCC(c1cccc(OCc2cnc(-c3cc(OC)ccc3F)c(Br)n2)c1)C1CC1
InChIInChI=1S/C24H24BrFN2O2/c1-3-20(15-7-8-15)16-5-4-6-19(11-16)30-14-17-13-27-23(24(25)28-17)21-12-18(29-2)9-10-22(21)26/h4-6,9-13,15,20H,3,7-8,14H2,1-2H3
InChIKeyOVGORSFJPSPYGI-UHFFFAOYSA-N
XLogP6.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.37
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[6-chloro-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 118645796
methyl (3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-propan-2-ylpyrazin-2-yl]methoxy]phenyl]propanoate
CID 118645828
ethyl (3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methoxy]phenyl]propanoate
CID 118653630
3-[3-[[6-butyl-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 118645365
3-cyclopropyl-3-[3-[[6-(3,5-dimethylphenyl)-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 118645407
3-[3-[[6-cyclopentyloxy-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 129288793
ethyl 3-cyclopropyl-3-[3-[[6-(2,2-dimethylpropyl)-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]propanoate
CID 129288750
3-[3-[[6-cyclohexyloxy-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 129288817
3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 129288810
3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-morpholin-4-ylpyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 118645666
(3S)-3-[3-[[6-(2-azaspiro[3.3]heptan-2-yl)-3-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 118645375
methyl (3R)-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-propan-2-ylpyrazin-2-yl]methoxy]phenyl]-3-hydroxypropanoate
CID 118656353

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine?
The IUPAC name of 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine (CID 118649635) is 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine.
What is the SMILES notation for 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine?
The canonical SMILES for 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine is CCC(c1cccc(OCc2cnc(-c3cc(OC)ccc3F)c(Br)n2)c1)C1CC1.
What is the InChIKey of 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine?
The InChIKey is OVGORSFJPSPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFN2O2/c1-3-20(15-7-8-15)16-5-4-6-19(11-16)30-14-17-13-27-23(24(25)28-17)21-12-18(29-2)9-10-22(21)26/h4-6,9-13,15,20H,3,7-8,14H2,1-2H3.
What are the key properties of 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine?
3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine has a molecular weight of 471.37 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-2-(2-fluoro-5-methoxyphenyl)pyrazine is sourced from PubChem (CID 118649635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).