1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone

C24H18F2N4O2 — CID 146859557

IUPAC1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone
SMILESCc1ccc(Oc2ncccc2F)cc1-c1cnc(CC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C24H18F2N4O2/c1-14-5-6-17(32-24-20(25)4-3-7-28-24)9-18(14)22-13-29-16(10-30-22)8-23(31)19-11-27-12-21(26)15(19)2/h3-7,9-13H,8H2,1-2H3
InChIKeySKHBSJGCOCJPQZ-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.05
Rot. Bonds6

About 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone

1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone (PubChem CID 146859557) has the molecular formula C24H18F2N4O2 and a molecular weight of 432.43 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone
PubChem CID146859557
Molecular FormulaC24H18F2N4O2
Molecular Weight432.43 g/mol
Exact Mass432.14
IUPAC Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone
SMILESCc1ccc(Oc2ncccc2F)cc1-c1cnc(CC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C24H18F2N4O2/c1-14-5-6-17(32-24-20(25)4-3-7-28-24)9-18(14)22-13-29-16(10-30-22)8-23(31)19-11-27-12-21(26)15(19)2/h3-7,9-13H,8H2,1-2H3
InChIKeySKHBSJGCOCJPQZ-UHFFFAOYSA-N
XLogP5.05
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone?
The IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone (CID 146859557) is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone is Cc1ccc(Oc2ncccc2F)cc1-c1cnc(CC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone?
The InChIKey is SKHBSJGCOCJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2/c1-14-5-6-17(32-24-20(25)4-3-7-28-24)9-18(14)22-13-29-16(10-30-22)8-23(31)19-11-27-12-21(26)15(19)2/h3-7,9-13H,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone?
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone has a molecular weight of 432.43 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]ethanone is sourced from PubChem (CID 146859557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).