4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one

C24H24FN5O4 — CID 42832694

IUPAC4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(C)c3=O)cc2)CC1
InChIInChI=1S/C24H24FN5O4/c1-16(31)29-11-13-30(14-12-29)23(32)17-3-7-19(8-4-17)27-22-21(15-26-28(2)24(22)33)34-20-9-5-18(25)6-10-20/h3-10,15,27H,11-14H2,1-2H3
InChIKeyMVRKDIZLJKIPBL-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.76
Rot. Bonds5

About 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one

4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one (PubChem CID 42832694) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
PubChem CID42832694
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(C)c3=O)cc2)CC1
InChIInChI=1S/C24H24FN5O4/c1-16(31)29-11-13-30(14-12-29)23(32)17-3-7-19(8-4-17)27-22-21(15-26-28(2)24(22)33)34-20-9-5-18(25)6-10-20/h3-10,15,27H,11-14H2,1-2H3
InChIKeyMVRKDIZLJKIPBL-UHFFFAOYSA-N
XLogP2.76
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 42832695
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
4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303260
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
N-cyclopropyl-4-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833659
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006272
N-[2-(dimethylamino)ethyl]-4-[[2-(4-fluorophenyl)-5-(4-methylphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42836845
2-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
4-[[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 42836651
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one?
The IUPAC name of 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one (CID 42832694) is 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one?
The canonical SMILES for 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one is CC(=O)N1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(C)c3=O)cc2)CC1.
What is the InChIKey of 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one?
The InChIKey is MVRKDIZLJKIPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-16(31)29-11-13-30(14-12-29)23(32)17-3-7-19(8-4-17)27-22-21(15-26-28(2)24(22)33)34-20-9-5-18(25)6-10-20/h3-10,15,27H,11-14H2,1-2H3.
What are the key properties of 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one?
4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one has a molecular weight of 465.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one is sourced from PubChem (CID 42832694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).