1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

C19H16FN3O2 — CID 157346110

IUPAC1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)nc1
InChIInChI=1S/C19H16FN3O2/c1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h3-6,8-11H,7H2,1-2H3
InChIKeyCHUOMIFODNOAJB-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.85
Rot. Bonds5

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

1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 157346110) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID157346110
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)nc1
InChIInChI=1S/C19H16FN3O2/c1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h3-6,8-11H,7H2,1-2H3
InChIKeyCHUOMIFODNOAJB-UHFFFAOYSA-N
XLogP3.85
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-1-methyl-piperidin-4-ol
CID 9819930
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
2-(Dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one
CID 134805452
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
CID 137636158
8-(2-Phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
CID 134805812
US8598345, Table 1-9
CID 51038607
Pyridin-2-yl(4-(3-(pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59374257
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719
(3-ethoxy-6-methylpyridin-2-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117630025

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (CID 157346110) is 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)nc1.
What is the InChIKey of 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is CHUOMIFODNOAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 337.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157346110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).