2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one

C24H23F2N3O3 — CID 16669446

IUPAC2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-32-18-7-5-17(6-8-18)21-9-10-22(30)29(27-21)15-16-11-13-28(14-12-16)24(31)23-19(25)3-2-4-20(23)26/h2-10,16H,11-15H2,1H3
InChIKeyIAQSZDUPCDCTOJ-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.75
Rot. Bonds5

About 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one

2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 16669446) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID16669446
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-32-18-7-5-17(6-8-18)21-9-10-22(30)29(27-21)15-16-11-13-28(14-12-16)24(31)23-19(25)3-2-4-20(23)26/h2-10,16H,11-15H2,1H3
InChIKeyIAQSZDUPCDCTOJ-UHFFFAOYSA-N
XLogP3.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126852409
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95797494
2-[[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 126852434
2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
2-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 16669834
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863401
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 22452196
2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 11280723
2-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126854681
6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 16670583

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 16669446) is 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1.
What is the InChIKey of 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is IAQSZDUPCDCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-32-18-7-5-17(6-8-18)21-9-10-22(30)29(27-21)15-16-11-13-28(14-12-16)24(31)23-19(25)3-2-4-20(23)26/h2-10,16H,11-15H2,1H3.
What are the key properties of 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 439.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 16669446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).