2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one

C21H20FN3O3 — CID 174547673

IUPAC2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one
SMILESNCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O
InChIInChI=1S/C21H20FN3O3/c22-17-7-5-16(6-8-17)21(27-11-12-28-21)13-18-9-10-20(26)25(24-18)19-4-2-1-3-15(19)14-23/h1-10H,11-14,23H2
InChIKeyDLKBTWDGDXGWAW-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one

2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one (PubChem CID 174547673) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one
PubChem CID174547673
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one
SMILESNCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O
InChIInChI=1S/C21H20FN3O3/c22-17-7-5-16(6-8-17)21(27-11-12-28-21)13-18-9-10-20(26)25(24-18)19-4-2-1-3-15(19)14-23/h1-10H,11-14,23H2
InChIKeyDLKBTWDGDXGWAW-UHFFFAOYSA-N
XLogP2.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one 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

6-{[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl}-2-(2-methylphenyl)-3(2H)-pyridazinone
CID 68974711
6-{[2-(2,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl}-2-(2-methylphenyl)-3(2H)-pyridazinone
CID 68973914
6-[[2-(4-Fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 69570376
6-[[2-(2-Chloro-4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 91040632
6-[[2-(4-Fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 141166537
6-[[2-(2,4-Difluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 141260844
1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide
CID 51122223
1-(4-fluorophenyl)-N-[(2R)-2-methoxy-2-phenylethyl]-6-oxopyridazine-3-carboxamide
CID 52414915
1-(4-fluorophenyl)-N-[(2S)-2-methoxy-2-phenylethyl]-6-oxopyridazine-3-carboxamide
CID 52414916
6-oxo-1-phenyl-N-[3-(1-phenylethoxy)propyl]pyridazine-3-carboxamide
CID 133919977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one (CID 174547673) is 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one is NCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one?
The InChIKey is DLKBTWDGDXGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-17-7-5-16(6-8-17)21(27-11-12-28-21)13-18-9-10-20(26)25(24-18)19-4-2-1-3-15(19)14-23/h1-10H,11-14,23H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one?
2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one has a molecular weight of 381.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 174547673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).