N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide

C24H24FN5O3 — CID 52671372

IUPACN-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H24FN5O3/c25-19-6-8-20(9-7-19)26-22(31)16-28-12-14-29(15-13-28)24(33)17-30-23(32)11-10-21(27-30)18-4-2-1-3-5-18/h1-11H,12-17H2,(H,26,31)
InChIKeyBSFBDRGCQVMHRV-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.83
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 52671372) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID52671372
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H24FN5O3/c25-19-6-8-20(9-7-19)26-22(31)16-28-12-14-29(15-13-28)24(33)17-30-23(32)11-10-21(27-30)18-4-2-1-3-5-18/h1-11H,12-17H2,(H,26,31)
InChIKeyBSFBDRGCQVMHRV-UHFFFAOYSA-N
XLogP1.83
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 121051527
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
6-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051551
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide (CID 52671372) is N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is BSFBDRGCQVMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-19-6-8-20(9-7-19)26-22(31)16-28-12-14-29(15-13-28)24(33)17-30-23(32)11-10-21(27-30)18-4-2-1-3-5-18/h1-11H,12-17H2,(H,26,31).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 449.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 52671372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).