2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C24H22F4N4O3 — CID 55912944

IUPAC2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H22F4N4O3/c25-17-7-5-16(6-8-17)15-32-21(33)10-9-20(29-32)23(35)31-13-11-30(12-14-31)22(34)18-3-1-2-4-19(18)24(26,27)28/h1-8H,9-15H2
InChIKeyYVGIZTOLNCFYEL-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.31
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 55912944) has the molecular formula C24H22F4N4O3 and a molecular weight of 490.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID55912944
Molecular FormulaC24H22F4N4O3
Molecular Weight490.46 g/mol
Exact Mass490.16
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H22F4N4O3/c25-17-7-5-16(6-8-17)15-32-21(33)10-9-20(29-32)23(35)31-13-11-30(12-14-31)22(34)18-3-1-2-4-19(18)24(26,27)28/h1-8H,9-15H2
InChIKeyYVGIZTOLNCFYEL-UHFFFAOYSA-N
XLogP3.31
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 55912944) is 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is YVGIZTOLNCFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O3/c25-17-7-5-16(6-8-17)15-32-21(33)10-9-20(29-32)23(35)31-13-11-30(12-14-31)22(34)18-3-1-2-4-19(18)24(26,27)28/h1-8H,9-15H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 490.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 55912944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).