1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone

C25H20FN3O2 — CID 146836377

IUPAC1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cccnc2)ncc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1
InChIInChI=1S/C25H20FN3O2/c1-16-11-25(31-20-5-4-10-27-14-20)29-15-22(16)18-8-9-19(28-13-18)12-24(30)21-6-3-7-23(26)17(21)2/h3-11,13-15H,12H2,1-2H3
InChIKeySFESREXSXCYFPZ-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.51
Rot. Bonds6

About 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone

1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 146836377) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone
PubChem CID146836377
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cccnc2)ncc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1
InChIInChI=1S/C25H20FN3O2/c1-16-11-25(31-20-5-4-10-27-14-20)29-15-22(16)18-8-9-19(28-13-18)12-24(30)21-6-3-7-23(26)17(21)2/h3-11,13-15H,12H2,1-2H3
InChIKeySFESREXSXCYFPZ-UHFFFAOYSA-N
XLogP5.51
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone (CID 146836377) is 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone is Cc1cc(Oc2cccnc2)ncc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone?
The InChIKey is SFESREXSXCYFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-16-11-25(31-20-5-4-10-27-14-20)29-15-22(16)18-8-9-19(28-13-18)12-24(30)21-6-3-7-23(26)17(21)2/h3-11,13-15H,12H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone?
1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 413.45 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-2-[5-(4-methyl-6-pyridin-3-yloxy-3-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 146836377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).