2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile

C23H16ClN3O — CID 53239845

IUPAC2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1cnn(Cc2cccc3ccccc23)c(=O)c1Cl
InChIInChI=1S/C23H16ClN3O/c24-22-21(20(13-25)17-7-2-1-3-8-17)14-26-27(23(22)28)15-18-11-6-10-16-9-4-5-12-19(16)18/h1-12,14,20H,15H2
InChIKeyBRIDICVIXZXSAF-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.75
Rot. Bonds4

About 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile

2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile (PubChem CID 53239845) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile
PubChem CID53239845
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1cnn(Cc2cccc3ccccc23)c(=O)c1Cl
InChIInChI=1S/C23H16ClN3O/c24-22-21(20(13-25)17-7-2-1-3-8-17)14-26-27(23(22)28)15-18-11-6-10-16-9-4-5-12-19(16)18/h1-12,14,20H,15H2
InChIKeyBRIDICVIXZXSAF-UHFFFAOYSA-N
XLogP4.75
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile 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 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile (CID 53239845) is 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile is N#CC(c1ccccc1)c1cnn(Cc2cccc3ccccc23)c(=O)c1Cl.
What is the InChIKey of 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile?
The InChIKey is BRIDICVIXZXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-22-21(20(13-25)17-7-2-1-3-8-17)14-26-27(23(22)28)15-18-11-6-10-16-9-4-5-12-19(16)18/h1-12,14,20H,15H2.
What are the key properties of 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile?
2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile has a molecular weight of 385.85 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]-2-phenylacetonitrile is sourced from PubChem (CID 53239845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).