6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

C24H23FN4O4 — CID 33466549

IUPAC6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H23FN4O4/c25-20-9-5-4-8-19(20)23(31)27-12-14-28(15-13-27)24(32)21-10-11-22(30)29(26-21)16-17-33-18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyMEYGSEYVZVLNRX-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.06
Rot. Bonds6

About 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 33466549) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID33466549
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H23FN4O4/c25-20-9-5-4-8-19(20)23(31)27-12-14-28(15-13-27)24(32)21-10-11-22(30)29(26-21)16-17-33-18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyMEYGSEYVZVLNRX-UHFFFAOYSA-N
XLogP2.06
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139
2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 43062887
2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 55836433
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 78898605
N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55688997
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38213819

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one (CID 33466549) is 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one is O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is MEYGSEYVZVLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c25-20-9-5-4-8-19(20)23(31)27-12-14-28(15-13-27)24(32)21-10-11-22(30)29(26-21)16-17-33-18-6-2-1-3-7-18/h1-11H,12-17H2.
What are the key properties of 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one?
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 450.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 33466549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).