2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid

C18H20FN3O5 — CID 119248171

IUPAC2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CCO1
InChIInChI=1S/C18H20FN3O5/c19-13-3-1-12(2-4-13)10-22-16(23)6-5-15(20-22)18(26)21-7-8-27-14(11-21)9-17(24)25/h1-4,14H,5-11H2,(H,24,25)
InChIKeyBYXUWYXMSZBAKO-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248171) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248171
Molecular FormulaC18H20FN3O5
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CCO1
InChIInChI=1S/C18H20FN3O5/c19-13-3-1-12(2-4-13)10-22-16(23)6-5-15(20-22)18(26)21-7-8-27-14(11-21)9-17(24)25/h1-4,14H,5-11H2,(H,24,25)
InChIKeyBYXUWYXMSZBAKO-UHFFFAOYSA-N
XLogP1.01
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421367
6-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136536
1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251298
2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 112834252
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 51117581
2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55912944
2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 125153681
2-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248759
2-benzyl-6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 51952657
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248281
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid (CID 119248171) is 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CCO1.
What is the InChIKey of 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is BYXUWYXMSZBAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5/c19-13-3-1-12(2-4-13)10-22-16(23)6-5-15(20-22)18(26)21-7-8-27-14(11-21)9-17(24)25/h1-4,14H,5-11H2,(H,24,25).
What are the key properties of 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 377.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).