6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

C22H23FN2O2 — CID 59400740

IUPAC6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(Cc2cccc(F)c2)nn(CC(C)C)c1=O
InChIInChI=1S/C22H23FN2O2/c1-14(2)13-25-22(27)20(18-10-5-4-7-15(18)3)21(26)19(24-25)12-16-8-6-9-17(23)11-16/h4-11,14,26H,12-13H2,1-3H3
InChIKeyHJXQDJUKPPDTMP-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.31
Rot. Bonds5

About 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 59400740) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID59400740
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(Cc2cccc(F)c2)nn(CC(C)C)c1=O
InChIInChI=1S/C22H23FN2O2/c1-14(2)13-25-22(27)20(18-10-5-4-7-15(18)3)21(26)19(24-25)12-16-8-6-9-17(23)11-16/h4-11,14,26H,12-13H2,1-3H3
InChIKeyHJXQDJUKPPDTMP-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400764
6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400748
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
CID 158470656
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 59400754
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
6-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400732
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400720
2-[(3-fluorophenyl)methyl]-3-methylnaphthalene-1,4-dione
CID 164945507

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 59400740) is 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(Cc2cccc(F)c2)nn(CC(C)C)c1=O.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is HJXQDJUKPPDTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14(2)13-25-22(27)20(18-10-5-4-7-15(18)3)21(26)19(24-25)12-16-8-6-9-17(23)11-16/h4-11,14,26H,12-13H2,1-3H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 366.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 59400740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).