2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C17H12F2N4O2 — CID 58349280

IUPAC2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)c(CF)n1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C17H12F2N4O2/c18-7-16-14(19)2-1-11(23-16)5-17(24)15-6-12(3-4-22-15)25-13-8-20-10-21-9-13/h1-4,6,8-10H,5,7H2
InChIKeyFFEMGZUIUFGJRY-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.09
Rot. Bonds6

About 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349280) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349280
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)c(CF)n1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C17H12F2N4O2/c18-7-16-14(19)2-1-11(23-16)5-17(24)15-6-12(3-4-22-15)25-13-8-20-10-21-9-13/h1-4,6,8-10H,5,7H2
InChIKeyFFEMGZUIUFGJRY-UHFFFAOYSA-N
XLogP3.09
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone with MolForge

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Related Compounds

Auglurant
CID 60168069
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349280) is 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is O=C(Cc1ccc(F)c(CF)n1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is FFEMGZUIUFGJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c18-7-16-14(19)2-1-11(23-16)5-17(24)15-6-12(3-4-22-15)25-13-8-20-10-21-9-13/h1-4,6,8-10H,5,7H2.
What are the key properties of 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 342.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).