5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one

C27H22F2N4O4 — CID 46006326

IUPAC5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one
SMILESO=C(c1ccc(Nc2c(Oc3ccc(F)cc3)cnn(-c3ccc(F)cc3)c2=O)cc1)N1CCOCC1
InChIInChI=1S/C27H22F2N4O4/c28-19-3-9-22(10-4-19)33-27(35)25(24(17-30-33)37-23-11-5-20(29)6-12-23)31-21-7-1-18(2-8-21)26(34)32-13-15-36-16-14-32/h1-12,17,31H,13-16H2
InChIKeyUKXBBWCXLUJLRW-UHFFFAOYSA-N
MW504.49 g/mol
LogP4.52
Rot. Bonds6

About 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one

5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one (PubChem CID 46006326) has the molecular formula C27H22F2N4O4 and a molecular weight of 504.49 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one
PubChem CID46006326
Molecular FormulaC27H22F2N4O4
Molecular Weight504.49 g/mol
Exact Mass504.16
IUPAC Name5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one
SMILESO=C(c1ccc(Nc2c(Oc3ccc(F)cc3)cnn(-c3ccc(F)cc3)c2=O)cc1)N1CCOCC1
InChIInChI=1S/C27H22F2N4O4/c28-19-3-9-22(10-4-19)33-27(35)25(24(17-30-33)37-23-11-5-20(29)6-12-23)31-21-7-1-18(2-8-21)26(34)32-13-15-36-16-14-32/h1-12,17,31H,13-16H2
InChIKeyUKXBBWCXLUJLRW-UHFFFAOYSA-N
XLogP4.52
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
CID 46000907
4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
CID 42832694
5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 42832695
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
4-[[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 42836651
4-[[2-(4-fluorophenyl)-5-(2-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46006577
N-[2-(dimethylamino)ethyl]-4-[[2-(4-fluorophenyl)-5-(4-methylphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42836845
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285
ethyl 1-[4-[[2-(4-fluorophenyl)-5-(2-methylphenoxy)-3-oxopyridazin-4-yl]amino]benzoyl]piperidine-3-carboxylate
CID 42836857
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
4-[[5-(4-chlorophenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-ethylbenzamide
CID 42682100
4-[[2-(4-methoxyphenyl)-3-oxo-5-phenoxypyridazin-4-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93158758

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one?
The IUPAC name of 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one (CID 46006326) is 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one?
The canonical SMILES for 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one is O=C(c1ccc(Nc2c(Oc3ccc(F)cc3)cnn(-c3ccc(F)cc3)c2=O)cc1)N1CCOCC1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one?
The InChIKey is UKXBBWCXLUJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O4/c28-19-3-9-22(10-4-19)33-27(35)25(24(17-30-33)37-23-11-5-20(29)6-12-23)31-21-7-1-18(2-8-21)26(34)32-13-15-36-16-14-32/h1-12,17,31H,13-16H2.
What are the key properties of 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one?
5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one has a molecular weight of 504.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one is sourced from PubChem (CID 46006326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).