5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one

C23H24FN5O3 — CID 42832695

IUPAC5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
SMILESCN1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(C)c3=O)cc2)CC1
InChIInChI=1S/C23H24FN5O3/c1-27-11-13-29(14-12-27)22(30)16-3-7-18(8-4-16)26-21-20(15-25-28(2)23(21)31)32-19-9-5-17(24)6-10-19/h3-10,15,26H,11-14H2,1-2H3
InChIKeyKRWVSOJZSXVZMB-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.84
Rot. Bonds5

About 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one

5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one (PubChem CID 42832695) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
PubChem CID42832695
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
SMILESCN1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(C)c3=O)cc2)CC1
InChIInChI=1S/C23H24FN5O3/c1-27-11-13-29(14-12-27)22(30)16-3-7-18(8-4-16)26-21-20(15-25-28(2)23(21)31)32-19-9-5-17(24)6-10-19/h3-10,15,26H,11-14H2,1-2H3
InChIKeyKRWVSOJZSXVZMB-UHFFFAOYSA-N
XLogP2.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
CID 42832694
5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one
CID 46006326
2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
CID 46000907
2-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303260
5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
CID 46147918
N-cyclopropyl-4-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833659
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 46002211
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285
N-[2-(dimethylamino)ethyl]-4-[[2-(4-fluorophenyl)-5-(4-methylphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42836845
4-[[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 42836651

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one?
The IUPAC name of 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one (CID 42832695) is 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one?
The canonical SMILES for 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one is CN1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(C)c3=O)cc2)CC1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one?
The InChIKey is KRWVSOJZSXVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-27-11-13-29(14-12-27)22(30)16-3-7-18(8-4-16)26-21-20(15-25-28(2)23(21)31)32-19-9-5-17(24)6-10-19/h3-10,15,26H,11-14H2,1-2H3.
What are the key properties of 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one?
5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one has a molecular weight of 437.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one is sourced from PubChem (CID 42832695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).