methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

C17H19FN2O3 — CID 162432199

IUPACmethyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(C)C)c(-c2cccc(F)c2)c(C)c1=O
InChIInChI=1S/C17H19FN2O3/c1-10(2)16-15(12-6-5-7-13(18)8-12)11(3)17(22)20(19-16)9-14(21)23-4/h5-8,10H,9H2,1-4H3
InChIKeyMMEVOVRGRHXIKM-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.65
Rot. Bonds4

About methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (PubChem CID 162432199) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
PubChem CID162432199
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namemethyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(C)C)c(-c2cccc(F)c2)c(C)c1=O
InChIInChI=1S/C17H19FN2O3/c1-10(2)16-15(12-6-5-7-13(18)8-12)11(3)17(22)20(19-16)9-14(21)23-4/h5-8,10H,9H2,1-4H3
InChIKeyMMEVOVRGRHXIKM-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 167523991
2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)acetamide
CID 16847293
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
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methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
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2-methylpropyl 5-(3-fluorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 73485143
[4-(3-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methylcarbamic acid
CID 69365059
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
methyl 4,6-dichloro-5-(3-fluorophenyl)pyrimidine-2-carboxylate
CID 79440276
6-(3-fluorophenyl)-7-[(1S)-1-hydrazinylethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167431851
1-[3-(3-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 160810234
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 95185503
N-[(4-fluorophenyl)methyl]-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906571

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (CID 162432199) is methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is COC(=O)Cn1nc(C(C)C)c(-c2cccc(F)c2)c(C)c1=O.
What is the InChIKey of methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The InChIKey is MMEVOVRGRHXIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10(2)16-15(12-6-5-7-13(18)8-12)11(3)17(22)20(19-16)9-14(21)23-4/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate has a molecular weight of 318.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-fluorophenyl)-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is sourced from PubChem (CID 162432199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).