6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one

C24H25F2N3O3 — CID 112836731

IUPAC6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CCC2=O)c1
InChIInChI=1S/C24H25F2N3O3/c1-15-3-4-16(2)21(13-15)29-23(30)8-6-20(27-29)24(31)28-11-9-18(10-12-28)32-22-7-5-17(25)14-19(22)26/h3-5,7,13-14,18H,6,8-12H2,1-2H3
InChIKeyXXHOBECNADPVOQ-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.13
Rot. Bonds4

About 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one

6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 112836731) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID112836731
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CCC2=O)c1
InChIInChI=1S/C24H25F2N3O3/c1-15-3-4-16(2)21(13-15)29-23(30)8-6-20(27-29)24(31)28-11-9-18(10-12-28)32-22-7-5-17(25)14-19(22)26/h3-5,7,13-14,18H,6,8-12H2,1-2H3
InChIKeyXXHOBECNADPVOQ-UHFFFAOYSA-N
XLogP4.13
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one with MolForge

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Related Compounds

1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
CID 51159238
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
[2-(2,5-difluorophenyl)-2-oxoethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 30194075
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
1-(2,5-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46519529
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112836515
2-(2,5-dimethylphenyl)-6-[4-(3-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55742980
1-(2,5-dimethylphenyl)-N-[2-(3-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46433241

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one (CID 112836731) is 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccc(C)c(N2N=C(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CCC2=O)c1.
What is the InChIKey of 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is XXHOBECNADPVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-15-3-4-16(2)21(13-15)29-23(30)8-6-20(27-29)24(31)28-11-9-18(10-12-28)32-22-7-5-17(25)14-19(22)26/h3-5,7,13-14,18H,6,8-12H2,1-2H3.
What are the key properties of 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one?
6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 441.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 112836731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).