3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate

C24H26FN3O3 — CID 158499857

IUPAC3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
SMILESCN(C)CCCOC(=O)Cc1cccc(Cn2nc(-c3cccc(F)c3)ccc2=O)c1
InChIInChI=1S/C24H26FN3O3/c1-27(2)12-5-13-31-24(30)15-18-6-3-7-19(14-18)17-28-23(29)11-10-22(26-28)20-8-4-9-21(25)16-20/h3-4,6-11,14,16H,5,12-13,15,17H2,1-2H3
InChIKeyHJTIBWUKPOPRHC-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.14
Rot. Bonds9

About 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate

3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate (PubChem CID 158499857) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
PubChem CID158499857
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
SMILESCN(C)CCCOC(=O)Cc1cccc(Cn2nc(-c3cccc(F)c3)ccc2=O)c1
InChIInChI=1S/C24H26FN3O3/c1-27(2)12-5-13-31-24(30)15-18-6-3-7-19(14-18)17-28-23(29)11-10-22(26-28)20-8-4-9-21(25)16-20/h3-4,6-11,14,16H,5,12-13,15,17H2,1-2H3
InChIKeyHJTIBWUKPOPRHC-UHFFFAOYSA-N
XLogP3.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)propyl 2-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate
CID 159553230
3-(dimethylamino)propyl 2-[3-[[6-oxo-3-(1,3-thiazol-2-yl)pyridazin-1-yl]methyl]phenyl]acetate
CID 159652887
3-[1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzamide
CID 59484854
3-(dimethylamino)propyl N-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747499
4-(dimethylamino)butyl N-[3-[[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849659
3-(dimethylamino)propyl N-[3-[[3-(2,4-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 67492171
[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl] N-[3-(dimethylamino)propyl]carbamate
CID 143480984
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
3-(dimethylamino)propyl-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]carbamic acid
CID 67419621
N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71248335
1-[3-[[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-[3-(dimethylamino)propyl]urea
CID 59849767
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate?
The IUPAC name of 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate (CID 158499857) is 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate.
What is the SMILES notation for 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate?
The canonical SMILES for 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate is CN(C)CCCOC(=O)Cc1cccc(Cn2nc(-c3cccc(F)c3)ccc2=O)c1.
What is the InChIKey of 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate?
The InChIKey is HJTIBWUKPOPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-27(2)12-5-13-31-24(30)15-18-6-3-7-19(14-18)17-28-23(29)11-10-22(26-28)20-8-4-9-21(25)16-20/h3-4,6-11,14,16H,5,12-13,15,17H2,1-2H3.
What are the key properties of 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate?
3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate has a molecular weight of 423.49 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-[3-[[3-(3-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]acetate is sourced from PubChem (CID 158499857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).