1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one

C16H14FN3O — CID 118442276

IUPAC1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cn(-c2ccc(F)nn2)c2ccccc12
InChIInChI=1S/C16H14FN3O/c1-10(2)16(21)12-9-20(13-6-4-3-5-11(12)13)15-8-7-14(17)18-19-15/h3-10H,1-2H3
InChIKeyYHKZBTJUCRVFQH-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.40
Rot. Bonds3

About 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one

1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one (PubChem CID 118442276) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one
PubChem CID118442276
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cn(-c2ccc(F)nn2)c2ccccc12
InChIInChI=1S/C16H14FN3O/c1-10(2)16(21)12-9-20(13-6-4-3-5-11(12)13)15-8-7-14(17)18-19-15/h3-10H,1-2H3
InChIKeyYHKZBTJUCRVFQH-UHFFFAOYSA-N
XLogP3.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397516
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
2-(3-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397383
2-(4-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397491
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
1-[1-(2-Fluoro-benzyl)-1H-indol-3-yl]-ethanone
CID 951679
(1-(2-(Pyridin-3-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11493987
(1-(2-(Pyridin-4-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11551962

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one (CID 118442276) is 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cn(-c2ccc(F)nn2)c2ccccc12.
What is the InChIKey of 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one?
The InChIKey is YHKZBTJUCRVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(2)16(21)12-9-20(13-6-4-3-5-11(12)13)15-8-7-14(17)18-19-15/h3-10H,1-2H3.
What are the key properties of 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one?
1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one has a molecular weight of 283.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoropyridazin-3-yl)indol-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 118442276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).