2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C22H23FN4O3 — CID 112834252

IUPAC2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H23FN4O3/c23-17-3-1-16(2-4-17)15-27-21(29)10-9-20(24-27)22(30)26-13-11-25(12-14-26)18-5-7-19(28)8-6-18/h1-8,28H,9-15H2
InChIKeyHPOJZIFHIIJNAC-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.36
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 112834252) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID112834252
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H23FN4O3/c23-17-3-1-16(2-4-17)15-27-21(29)10-9-20(24-27)22(30)26-13-11-25(12-14-26)18-5-7-19(28)8-6-18/h1-8,28H,9-15H2
InChIKeyHPOJZIFHIIJNAC-UHFFFAOYSA-N
XLogP2.36
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251298
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 51117581
6-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136536
2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55912944
2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248171
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one
CID 78880374
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55762183
1-[(4-fluorophenyl)methyl]-6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55777486
6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
CID 5135424

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 112834252) is 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is HPOJZIFHIIJNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-17-3-1-16(2-4-17)15-27-21(29)10-9-20(24-27)22(30)26-13-11-25(12-14-26)18-5-7-19(28)8-6-18/h1-8,28H,9-15H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 410.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 112834252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).