4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one

C19H17FN2O3 — CID 86715312

IUPAC4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2nc(CO)cc(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H17FN2O3/c1-25-17-8-2-13(3-9-17)11-22-19(24)18(10-16(12-23)21-22)14-4-6-15(20)7-5-14/h2-10,23H,11-12H2,1H3
InChIKeyKYCQWWRLKMCYAG-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.60
Rot. Bonds5

About 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one

4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 86715312) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID86715312
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2nc(CO)cc(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H17FN2O3/c1-25-17-8-2-13(3-9-17)11-22-19(24)18(10-16(12-23)21-22)14-4-6-15(20)7-5-14/h2-10,23H,11-12H2,1H3
InChIKeyKYCQWWRLKMCYAG-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one
CID 18369387
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
CID 10221746
5-(4-fluorophenyl)-11-[(4-methoxyphenyl)methyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496966
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
2-[5-bromo-1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]ethanesulfonic acid
CID 86715219
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450
[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
CID 66709516
[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 7622046
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
2-[(4-fluorophenyl)methyl]-5-[(4-methoxyanilino)methyl]-4H-1,2,4-triazol-3-one
CID 135636883
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (CID 86715312) is 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is COc1ccc(Cn2nc(CO)cc(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is KYCQWWRLKMCYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-25-17-8-2-13(3-9-17)11-22-19(24)18(10-16(12-23)21-22)14-4-6-15(20)7-5-14/h2-10,23H,11-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 340.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 86715312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).