3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one

C24H18FN5O — CID 154405184

IUPAC3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one
SMILESNC=C/C(=N\c1ccccc1)c1nn(-c2ccc(-c3ccccn3)cc2F)ccc1=O
InChIInChI=1S/C24H18FN5O/c25-19-16-17(20-8-4-5-14-27-20)9-10-22(19)30-15-12-23(31)24(29-30)21(11-13-26)28-18-6-2-1-3-7-18/h1-16H,26H2/b13-11?,28-21+
InChIKeyWYDUEUAMMBXESQ-UYIZRIBUSA-N
MW411.44 g/mol
LogP4.03
Rot. Bonds5

About 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one

3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one (PubChem CID 154405184) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one
PubChem CID154405184
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one
SMILESNC=C/C(=N\c1ccccc1)c1nn(-c2ccc(-c3ccccn3)cc2F)ccc1=O
InChIInChI=1S/C24H18FN5O/c25-19-16-17(20-8-4-5-14-27-20)9-10-22(19)30-15-12-23(31)24(29-30)21(11-13-26)28-18-6-2-1-3-7-18/h1-16H,26H2/b13-11?,28-21+
InChIKeyWYDUEUAMMBXESQ-UYIZRIBUSA-N
XLogP4.03
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one?
The IUPAC name of 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one (CID 154405184) is 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one?
The canonical SMILES for 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one is NC=C/C(=N\c1ccccc1)c1nn(-c2ccc(-c3ccccn3)cc2F)ccc1=O.
What is the InChIKey of 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one?
The InChIKey is WYDUEUAMMBXESQ-UYIZRIBUSA-N. The full InChI is InChI=1S/C24H18FN5O/c25-19-16-17(20-8-4-5-14-27-20)9-10-22(19)30-15-12-23(31)24(29-30)21(11-13-26)28-18-6-2-1-3-7-18/h1-16H,26H2/b13-11?,28-21+.
What are the key properties of 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one?
3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one has a molecular weight of 411.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-(2-aminoethenyl)-N-phenylcarbonimidoyl]-1-(2-fluoro-4-pyridin-2-ylphenyl)pyridazin-4-one is sourced from PubChem (CID 154405184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).