3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

C22H20F2N4O2 — CID 8929352

IUPAC3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20F2N4O2/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)27-11-13-28(14-12-27)22(30)19-9-10-20(29)26-25-19/h1-10,21H,11-14H2,(H,26,29)
InChIKeyGDDNCPVEJVTEQJ-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.60
Rot. Bonds4

About 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 8929352) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID8929352
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20F2N4O2/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)27-11-13-28(14-12-27)22(30)19-9-10-20(29)26-25-19/h1-10,21H,11-14H2,(H,26,29)
InChIKeyGDDNCPVEJVTEQJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
3-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 37314315
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzoate
CID 24550836
3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108544538
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 39043901

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 8929352) is 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is GDDNCPVEJVTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)27-11-13-28(14-12-27)22(30)19-9-10-20(29)26-25-19/h1-10,21H,11-14H2,(H,26,29).
What are the key properties of 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 410.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 8929352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).