6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C26H23FN6O2 — CID 90516792

IUPAC6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C26H23FN6O2/c27-21-8-6-20(7-9-21)22-10-11-25(34)33(30-22)17-26(35)32-14-12-31(13-15-32)24-16-23(28-18-29-24)19-4-2-1-3-5-19/h1-11,16,18H,12-15,17H2
InChIKeyDVBJYIQSXQZVSZ-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.86
Rot. Bonds5

About 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 90516792) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID90516792
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C26H23FN6O2/c27-21-8-6-20(7-9-21)22-10-11-25(34)33(30-22)17-26(35)32-14-12-31(13-15-32)24-16-23(28-18-29-24)19-4-2-1-3-5-19/h1-11,16,18H,12-15,17H2
InChIKeyDVBJYIQSXQZVSZ-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

3-[2-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121107345
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-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121146070
N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 52671372
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 121107255
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone
CID 121107261
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 71794946
6-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051551

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 90516792) is 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is DVBJYIQSXQZVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-21-8-6-20(7-9-21)22-10-11-25(34)33(30-22)17-26(35)32-14-12-31(13-15-32)24-16-23(28-18-29-24)19-4-2-1-3-5-19/h1-11,16,18H,12-15,17H2.
What are the key properties of 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 470.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 90516792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).