1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

C18H20FN3O5 — CID 119251298

IUPAC1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C18H20FN3O5/c19-13-3-1-12(2-4-13)11-22-15(23)6-5-14(20-22)16(24)21-9-7-18(27,8-10-21)17(25)26/h1-4,27H,5-11H2,(H,25,26)
InChIKeyQSTSSOCSSRLUND-UHFFFAOYSA-N
MW377.37 g/mol
LogP0.74
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251298) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251298
Molecular FormulaC18H20FN3O5
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C18H20FN3O5/c19-13-3-1-12(2-4-13)11-22-15(23)6-5-14(20-22)16(24)21-9-7-18(27,8-10-21)17(25)26/h1-4,27H,5-11H2,(H,25,26)
InChIKeyQSTSSOCSSRLUND-UHFFFAOYSA-N
XLogP0.74
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251298) is 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is QSTSSOCSSRLUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5/c19-13-3-1-12(2-4-13)11-22-15(23)6-5-14(20-22)16(24)21-9-7-18(27,8-10-21)17(25)26/h1-4,27H,5-11H2,(H,25,26).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 377.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).